English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

IGZ

Summary

Name:	4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C22 H24 N6 O2
Formal charge:	0
Formula weight:	404.465 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-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-phenyl-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)c1ccccc1)N1CCC1
InChI	InChI	1.03	InChI=1S/C22H24N6O2/c1-26-20(17(13-23-26)22(30)27-9-5-10-27)21(29)24-16-8-11-28-14-18(25-19(28)12-16)15-6-3-2-4-7-15/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,24,29)/t16-/m1/s1
InChIKey	InChI	1.03	PYCDRSOLEDQJEN-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]3CCn4cc(nc4C3)c5ccccc5
SMILES	CACTVS	3.385	Cn1ncc(C(=O)N2CCC2)c1C(=O)N[CH]3CCn4cc(nc4C3)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N2CCC2)C(=O)N[C@@H]3CCn4cc(nc4C3)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N2CCC2)C(=O)NC3CCn4cc(nc4C3)c5ccccc5

221716

PDB entries from 2024-06-26

PDB statistics

PDBj update info

Contact PDBj

numon