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Summary Geometry Related PDB entries

IXL

Summary

Name:	4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C23 H26 N6 O2
Formal charge:	0
Formula weight:	418.492 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits	2.0.7	4-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-[(7~{R})-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1C)N1CCC1
InChI	InChI	1.03	InChI=1S/C23H26N6O2/c1-15-6-3-4-7-17(15)19-14-29-11-8-16(12-20(29)26-19)25-22(30)21-18(13-24-27(21)2)23(31)28-9-5-10-28/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKey	InChI	1.03	UGNUIDFPGQXYSB-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]3CCn4cc(nc4C3)c5ccccc5C
SMILES	CACTVS	3.385	Cn1ncc(C(=O)N2CCC2)c1C(=O)N[CH]3CCn4cc(nc4C3)c5ccccc5C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccccc1c2cn3c(n2)C[C@@H](CC3)NC(=O)c4c(cnn4C)C(=O)N5CCC5
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1c2cn3c(n2)CC(CC3)NC(=O)c4c(cnn4C)C(=O)N5CCC5

246704

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