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Summary Geometry Related PDB entries

K0R

Summary

Name:	4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C18 H15 Cl N6 O
Formal charge:	0
Formula weight:	366.804 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C
InChI	InChI	1.03	InChI=1S/C18H15ClN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)
InChIKey	InChI	1.03	GWSNRQDCTSDALC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc(C)c(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
SMILES	CACTVS	3.385	Cn1nc(C)c(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)Cl

221051

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