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IB4
IB4
Name:6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C22 H26 N8 O3
SMILES:COCCn1ncc(NC(=O)c2nc(ccc2Nc2cncnc2)C2CC2)c1C(=O)N(C)C
InChi:InChI=1S/C22H26N8O3/c1-29(2)22(32)20-18(12-25-30(20)8-9-33-3)28-21(31)19-17(26-15-10-23-13-24-11-15)7-6-16(27-19)14-4-5-14/h6-7,10-14,26H,4-5,8-9H2,1-3H3,(H,28,31)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IB7
IB7
Name:6-cyclopropyl-N-(3-{[(2S)-2,3-dihydroxypropyl](methyl)carbamoyl}-1-methyl-1H-pyrazol-4-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C22 H26 N8 O4
SMILES:O=C(c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)N(C)CC(O)CO
InChi:InChI=1S/C22H26N8O4/c1-29(9-15(32)11-31)22(34)20-18(10-30(2)28-20)27-21(33)19-17(25-14-7-23-12-24-8-14)6-5-16(26-19)13-3-4-13/h5-8,10,12-13,15,25,31-32H,3-4,9,11H2,1-2H3,(H,27,33)/t15-/m0/s1
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-(3-{[(2S)-2,3-dihydroxypropyl](methyl)carbamoyl}-1-methyl-1H-pyrazol-4-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IBJ
IBJ
Name:6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C23 H22 N8 O2
SMILES:OCCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ccccn1
InChi:InChI=1S/C23H22N8O2/c32-10-9-31-21(11-20(30-31)18-3-1-2-8-26-18)29-23(33)22-19(27-16-12-24-14-25-13-16)7-6-17(28-22)15-4-5-15/h1-3,6-8,11-15,27,32H,4-5,9-10H2,(H,29,33)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IBV
IBV
Name:6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C20 H22 N8 O2
SMILES:O=C(c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)N(C)C
InChi:InChI=1S/C20H22N8O2/c1-27(2)20(30)18-16(10-28(3)26-18)25-19(29)17-15(23-13-8-21-11-22-9-13)7-6-14(24-17)12-4-5-12/h6-12,23H,4-5H2,1-3H3,(H,25,29)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IBY
IBY
Name:2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
Formula:C21 H19 N3
SMILES:Cn1cc(nc1CCc1ccc2ccccc2n1)c1ccccc1
InChi:InChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
ICK
ICK
Name:2-chloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
Formula:C18 H12 Cl N5 O
SMILES:Clc1nccc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C18H12ClN5O/c19-15-10-13(6-8-20-15)18(25)21-14-7-9-24-16(11-14)22-17(23-24)12-4-2-1-3-5-12/h1-11H,(H,21,25)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-chloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
ICQ
ICQ
Name:2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide
Formula:C26 H24 N6 O2
SMILES:CC(C)NC(=O)COc1cccc(c1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2
InChi:InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
Definition date:2022-03-10
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide
ICW
ICW
Name:(8S)-5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Formula:C21 H22 N6
SMILES:Cn1cc(nc1CCc1nc2nc(cc(C)n2n1)C1CC1)c1ccccc1
InChi:InChI=1S/C21H22N6/c1-14-12-17(16-8-9-16)23-21-24-19(25-27(14)21)10-11-20-22-18(13-26(20)2)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(8S)-5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
ID9
ID9
Name:(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
Formula:C19 H19 N5 O
SMILES:Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1
InChi:InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
IE1
IE1
Name:4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dihydro-1H-pyrazole-3-carboxamide
Formula:C20 H25 N7 O2
SMILES:O=C(NCCc1nc(nn1C)c1ccccc1)C1=C(CNN1C)C(=O)N1CCC1
InChi:InChI=1S/C20H25N7O2/c1-25-16(23-18(24-25)14-7-4-3-5-8-14)9-10-21-19(28)17-15(13-22-26(17)2)20(29)27-11-6-12-27/h3-5,7-8,22H,6,9-13H2,1-2H3,(H,21,28)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dihydro-1H-pyrazole-3-carboxamide
IE7
IE7
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C21 H19 N7 O2
SMILES:O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C21H19N7O2/c1-26-18(16(13-22-26)21(30)27-9-5-10-27)20(29)23-15-8-11-28-17(12-15)24-19(25-28)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,29)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IEB
IEB
Name:2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine
Formula:C18 H18 N6 O
SMILES:Cn1cc(nc1COc1nc(C)nc2c1ncn2C)c1ccccc1
InChi:InChI=1S/C18H18N6O/c1-12-20-17-16(19-11-24(17)3)18(21-12)25-10-15-22-14(9-23(15)2)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine
IEH
IEH
Name:6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
Formula:C18 H19 N9 O2
SMILES:O=C(Nc1cnn(C)c1C(=O)NC)c1nc(cnc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C18H19N9O2/c1-19-18(29)15-13(8-23-27(15)2)26-17(28)14-16(24-11-5-20-9-21-6-11)22-7-12(25-14)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,29)(H,22,24)(H,26,28)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
IEN
IEN
Name:6-cyclopropyl-N-[1-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C21 H18 N8 O
SMILES:O=C(Nc1ccnn1c1ncccc1)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C21H18N8O/c30-21(28-19-8-10-25-29(19)18-3-1-2-9-24-18)20-17(26-15-11-22-13-23-12-15)7-6-16(27-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,30)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[1-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IEQ
IEQ
Name:~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:C24 H23 N3 O3
SMILES:CC(C)c1cc(Oc2ccccc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
InChi:InChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)
Definition date:2022-03-14
Last modified:2022-10-07
Release date:2022-10-12
Identifier:~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
IEU
IEU
Name:6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline
Formula:C23 H24 Cl N5 O2
SMILES:CN1CC(N=C1COc1nc(N2CCOCC2)c2cc(Cl)ccc2n1)c1ccccc1
InChi:InChI=1S/C23H24ClN5O2/c1-28-14-20(16-5-3-2-4-6-16)25-21(28)15-31-23-26-19-8-7-17(24)13-18(19)22(27-23)29-9-11-30-12-10-29/h2-8,13,20H,9-12,14-15H2,1H3/t20-/m1/s1
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline
IEX
IEX
Name:2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline
Formula:C26 H22 N4
SMILES:Cc1nc2ccccc2nc1CCc1nc(cn1c1ccccc1)c1ccccc1
InChi:InChI=1S/C26H22N4/c1-19-22(28-24-15-9-8-14-23(24)27-19)16-17-26-29-25(20-10-4-2-5-11-20)18-30(26)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline
IF2
IF2
Name:2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline
Formula:C18 H22 N6
SMILES:Cn1nc(nc1CCc1nc2ccccc2nc1C)N1CCCC1
InChi:InChI=1S/C18H22N6/c1-13-14(20-16-8-4-3-7-15(16)19-13)9-10-17-21-18(22-23(17)2)24-11-5-6-12-24/h3-4,7-8H,5-6,9-12H2,1-2H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline
IF5
IF5
Name:6-cyclopropyl-N-(1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C22 H19 N7 O
SMILES:O=C(Nc1ccnn1c1ccccc1)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C22H19N7O/c30-22(28-20-10-11-25-29(20)17-4-2-1-3-5-17)21-19(26-16-12-23-14-24-13-16)9-8-18(27-21)15-6-7-15/h1-5,8-15,26H,6-7H2,(H,28,30)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-(1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IFE
IFE
Name:(4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine
Formula:C15 H16 Cl N7
SMILES:Cn1nc(nc1/C=C/c1nc2ccc(Cl)cn2n1)N1CCCC1
InChi:InChI=1S/C15H16ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)7-5-12-17-14-6-4-11(16)10-23(14)19-12/h4-7,10H,2-3,8-9H2,1H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine
IFI
IFI
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C19 H22 N8 O3
SMILES:O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cc1)N1CCOCC1
InChi:InChI=1S/C19H22N8O3/c1-24-16(14(12-20-24)18(29)25-4-2-5-25)17(28)21-13-3-6-27-15(11-13)22-19(23-27)26-7-9-30-10-8-26/h3,6,11-12H,2,4-5,7-10H2,1H3,(H,21,28)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IFN
IFN
Name:5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide
Formula:C24 H20 Br N5 O4
SMILES:O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(Br)=CN(C)C1=O)c1ccccc1
InChi:InChI=1S/C24H20BrN5O4/c1-30-10-14(25)7-17(24(30)33)23(32)29-18-9-20-19(8-16(18)22(31)26-15-11-34-12-15)27-21(28-20)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3,(H,26,31)(H,27,28)(H,29,32)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide
IFR
IFR
Name:(4R)-5,7,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine
Formula:C17 H24 N8
SMILES:Cn1nc(nc1CCc1nc2c(C)c(C)nc(C)n2n1)N1CCCC1
InChi:InChI=1S/C17H24N8/c1-11-12(2)18-13(3)25-16(11)19-14(21-25)7-8-15-20-17(22-23(15)4)24-9-5-6-10-24/h5-10H2,1-4H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-5,7,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine
IFV
IFV
Name:(4R)-6-chloro-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyridine
Formula:C15 H18 Cl N7
SMILES:Cn1nc(nc1CCc1nc2ccc(Cl)cn2n1)N1CCCC1
InChi:InChI=1S/C15H18ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)7-5-12-17-14-6-4-11(16)10-23(14)19-12/h4,6,10H,2-3,5,7-9H2,1H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-6-chloro-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyridine
IFY
IFY
Name:2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
Formula:C21 H20 N4
SMILES:Cn1cc(nc1CCc1nc2ccccc2nc1C)c1ccccc1
InChi:InChI=1S/C21H20N4/c1-15-17(23-19-11-7-6-10-18(19)22-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

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數據於2024-07-10公開中

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