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Summary Geometry Related PDB entries

IK6

Summary

Name:	5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide
Formula:	C21 H19 N7 O2
Formal charge:	0
Formula weight:	401.421 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide
OpenEye OEToolkits	3.1.0.0	5-(azetidin-1-ylcarbonyl)-1-methyl-~{N}-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1ccn2cc(nc2n1)c1ccccc1)c1cnn(C)c1C(=O)N1CCC1
InChI	InChI	1.06	InChI=1S/C21H19N7O2/c1-26-18(20(30)27-9-5-10-27)15(12-22-26)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29)
InChIKey	InChI	1.06	DYRJLDSVALZBEO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ncc(C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)c1C(=O)N5CCC5
SMILES	CACTVS	3.385	Cn1ncc(C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)c1C(=O)N5CCC5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1c(c(cn1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C(=O)N5CCC5
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1c(c(cn1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C(=O)N5CCC5

248335

PDB entries from 2026-01-28

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