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Summary Geometry Related PDB entries

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Summary

Name:	4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C20 H19 Cl N6 O
Formal charge:	0
Formula weight:	394.857 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits	2.0.7	4-chloranyl-2-(2-methylpropyl)-~{N}-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cnn(CC(C)C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C20H19ClN6O/c1-13(2)11-27-18(15(21)10-22-27)19(28)24-17-8-9-26-12-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,24,25,28)
InChIKey	InChI	1.03	BGBFQUKCLJIYGD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)Cn1ncc(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
SMILES	CACTVS	3.385	CC(C)Cn1ncc(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)Cn1c(c(cn1)Cl)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC(C)Cn1c(c(cn1)Cl)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4

247536

PDB entries from 2026-01-14

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