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A1A6Q

A1A6Q
Name:	(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol
Formula:	C10 H12 N4 O2
SMILES:	OC1COCC1Nc1ncnc2[NH]ccc12
InChi:	InChI=1S/C10H12N4O2/c15-8-4-16-3-7(8)14-10-6-1-2-11-9(6)12-5-13-10/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13,14)/t7-,8-/m0/s1
Definition date:	2024-09-13
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol

A1A6U

A1A6U
Name:	(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol
Formula:	C12 H16 N4 O2
SMILES:	OCC(O)C1CCCN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C12H16N4O2/c17-6-10(18)9-2-1-5-16(9)12-8-3-4-13-11(8)14-7-15-12/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,13,14,15)/t9-,10+/m1/s1
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol

A1A6V

A1A6V
Name:	1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol
Formula:	C12 H16 N4 O
SMILES:	OC1(CCC1)CNc1ncnc2[NH]cc(C)c21
InChi:	InChI=1S/C12H16N4O/c1-8-5-13-10-9(8)11(16-7-15-10)14-6-12(17)3-2-4-12/h5,7,17H,2-4,6H2,1H3,(H2,13,14,15,16)
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol

A1A6Y

A1A6Y
Name:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol
Formula:	C12 H13 N5 O S
SMILES:	OCC(Nc1ncnc2[NH]ccc12)Cc1cncs1
InChi:	InChI=1S/C12H13N5OS/c18-5-8(3-9-4-13-7-19-9)17-12-10-1-2-14-11(10)15-6-16-12/h1-2,4,6-8,18H,3,5H2,(H2,14,15,16,17)/t8-/m0/s1
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol

A1A6Z

A1A6Z
Name:	[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Formula:	C13 H18 N4 O
SMILES:	OCC1CC(C)(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C13H18N4O/c1-13(2)5-9(6-18)17(7-13)12-10-3-4-14-11(10)15-8-16-12/h3-4,8-9,18H,5-7H2,1-2H3,(H,14,15,16)/t9-/m0/s1
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

A1A76

A1A76
Name:	[(2S,3aS,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-2-yl]methanol
Formula:	C14 H18 N4 O
SMILES:	OCC1CC2CCCC2N1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H18N4O/c19-7-10-6-9-2-1-3-12(9)18(10)14-11-4-5-15-13(11)16-8-17-14/h4-5,8-10,12,19H,1-3,6-7H2,(H,15,16,17)/t9-,10-,12-/m0/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S,3aS,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-2-yl]methanol

A1A77

A1A77
Name:	[(2R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]methanol
Formula:	C12 H17 N5 O
SMILES:	CN1CC(CO)N(CC1)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C12H17N5O/c1-16-4-5-17(9(6-16)7-18)12-10-2-3-13-11(10)14-8-15-12/h2-3,8-9,18H,4-7H2,1H3,(H,13,14,15)/t9-/m1/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]methanol

A1A78

A1A78
Name:	[(2S,4R)-4-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C16 H24 N4 O
SMILES:	CC(C)(C)C1CC(CO)N(CC1)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H24N4O/c1-16(2,3)11-5-7-20(12(8-11)9-21)15-13-4-6-17-14(13)18-10-19-15/h4,6,10-12,21H,5,7-9H2,1-3H3,(H,17,18,19)/t11-,12+/m1/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S,4R)-4-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1A7Z

A1A7Z
Name:	(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Formula:	C14 H14 N4 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)c1ccccc1
InChi:	InChI=1S/C14H14N4O/c19-8-12(10-4-2-1-3-5-10)18-14-11-6-7-15-13(11)16-9-17-14/h1-7,9,12,19H,8H2,(H2,15,16,17,18)/t12-/m1/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

A1A88

A1A88
Name:	(2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C17 H17 N5 O
SMILES:	OCC(Cc1c[NH]c2ccccc21)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C17H17N5O/c23-9-12(7-11-8-19-15-4-2-1-3-13(11)15)22-17-14-5-6-18-16(14)20-10-21-17/h1-6,8,10,12,19,23H,7,9H2,(H2,18,20,21,22)/t12-/m0/s1
Definition date:	2024-09-22
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A8E

A1A8E
Name:	[(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C14 H20 N4 O
SMILES:	OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1
Definition date:	2024-09-19
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1A8F

A1A8F
Name:	[(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C14 H20 N4 O
SMILES:	OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m1/s1
Definition date:	2024-09-19
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1A8W

A1A8W
Name:	(2S)-2-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Formula:	C12 H16 N4 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)C1CCC1
InChi:	InChI=1S/C12H16N4O/c17-6-10(8-2-1-3-8)16-12-9-4-5-13-11(9)14-7-15-12/h4-5,7-8,10,17H,1-3,6H2,(H2,13,14,15,16)/t10-/m1/s1
Definition date:	2024-09-21
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

A1A8Z

A1A8Z
Name:	(2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C15 H15 F N4 O
SMILES:	Fc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C15H15FN4O/c16-11-3-1-10(2-4-11)7-12(8-21)20-15-13-5-6-17-14(13)18-9-19-15/h1-6,9,12,21H,7-8H2,(H2,17,18,19,20)/t12-/m1/s1
Definition date:	2024-09-21
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9A

A1A9A
Name:	(R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Formula:	C17 H18 N4 O
SMILES:	OC(C1CCCN1c1ncnc2[NH]ccc12)c1ccccc1
InChi:	InChI=1S/C17H18N4O/c22-15(12-5-2-1-3-6-12)14-7-4-10-21(14)17-13-8-9-18-16(13)19-11-20-17/h1-3,5-6,8-9,11,14-15,22H,4,7,10H2,(H,18,19,20)/t14-,15-/m1/s1
Definition date:	2024-09-22
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

A1A9E

A1A9E
Name:	[(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Formula:	C12 H16 N4 O2
SMILES:	OCC1CC(CN1c1ncnc2[NH]ccc12)OC
InChi:	InChI=1S/C12H16N4O2/c1-18-9-4-8(6-17)16(5-9)12-10-2-3-13-11(10)14-7-15-12/h2-3,7-9,17H,4-6H2,1H3,(H,13,14,15)/t8-,9-/m1/s1
Definition date:	2024-09-23
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

A1A9F

A1A9F
Name:	(2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C13 H16 N6 O
SMILES:	Cn1cc(CC(Nc2ncnc3[NH]ccc32)CO)cn1
InChi:	InChI=1S/C13H16N6O/c1-19-6-9(5-17-19)4-10(7-20)18-13-11-2-3-14-12(11)15-8-16-13/h2-3,5-6,8,10,20H,4,7H2,1H3,(H2,14,15,16,18)/t10-/m0/s1
Definition date:	2024-09-23
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9Q

A1A9Q
Name:	(2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C11 H17 N5 O
SMILES:	CN(C)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C11H17N5O/c1-16(2)5-8(6-17)15-11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,17H,5-6H2,1-2H3,(H2,12,13,14,15)/t8-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9R

A1A9R
Name:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol
Formula:	C12 H13 N5 O S
SMILES:	OCC(Nc1ncnc2[NH]ccc12)Cc1nccs1
InChi:	InChI=1S/C12H13N5OS/c18-6-8(5-10-13-3-4-19-10)17-12-9-1-2-14-11(9)15-7-16-12/h1-4,7-8,18H,5-6H2,(H2,14,15,16,17)/t8-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol

A1A9U

A1A9U
Name:	(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C16 H18 N4 O
SMILES:	Cc1cccc(c1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C16H18N4O/c1-11-3-2-4-12(7-11)8-13(9-21)20-16-14-5-6-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m1/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9V

A1A9V
Name:	(2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C14 H21 N5 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)CN1CCCCC1
InChi:	InChI=1S/C14H21N5O/c20-9-11(8-19-6-2-1-3-7-19)18-14-12-4-5-15-13(12)16-10-17-14/h4-5,10-11,20H,1-3,6-9H2,(H2,15,16,17,18)/t11-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9Y

A1A9Y
Name:	(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C16 H18 N4 O
SMILES:	Cc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-13(9-21)20-16-14-6-7-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m1/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9Z

A1A9Z
Name:	(2S)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C16 H18 N4 O
SMILES:	Cc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-13(9-21)20-16-14-6-7-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

JDP

JDP
Name:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
Formula:	C24 H23 N5 O2
SMILES:	c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4c3COCC4)c5
InChi:	InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
Synonyms:	CB-5083
Definition date:	2018-09-04
Last modified:	2025-06-04
Release date:	2019-01-23
Identifier:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

A1B7B

A1B7B
Name:	(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C30 H37 Br F3 N5 O5 S
SMILES:	FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(Br)ccc3s1)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C30H37BrF3N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(31)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15-,17-,19-,20-,21-,22-/m0/s1
Synonyms:	TKB-276-5Br
Definition date:	2025-03-28
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

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