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SummaryGeometryRelated PDB entries

JQL

Summary
Name:1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C24 H24 N6 O2
Formal charge:0
Formula weight:428.486 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits2.0.72-methyl-4-[(2~{R})-2-methylpyrrolidin-1-yl]carbonyl-~{N}-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCCC1C
InChIInChI1.03InChI=1S/C24H24N6O2/c1-16-7-6-11-30(16)24(32)19-14-25-28(2)22(19)23(31)26-18-10-12-29-15-20(27-21(29)13-18)17-8-4-3-5-9-17/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H,26,31)
InChIKeyInChI1.03HONRTOICGWVZKJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CCCN1C(=O)c2cnn(C)c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
SMILESCACTVS3.385C[CH]1CCCN1C(=O)c2cnn(C)c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H]1CCCN1C(=O)c2cnn(c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5)C
SMILESOpenEye OEToolkits2.0.7CC1CCCN1C(=O)c2cnn(c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5)C

222415

數據於2024-07-10公開中

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