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Summary Geometry Related PDB entries

JIC

Summary

Name:	N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:	C22 H20 N6 O2
Formal charge:	0
Formula weight:	400.433 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
OpenEye OEToolkits	2.0.7	~{N}4-cyclopropyl-2-methyl-~{N}3-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CC1)c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C22H20N6O2/c1-27-20(17(12-23-27)21(29)24-15-7-8-15)22(30)25-16-9-10-28-13-18(26-19(28)11-16)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,24,29)(H,25,30)
InChIKey	InChI	1.03	LKUIZRWATPLATP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
SMILES	CACTVS	3.385	Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)NC2CC2)C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)NC2CC2)C(=O)Nc3ccn4cc(nc4c3)c5ccccc5

222415

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