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Summary Geometry Related PDB entries

A1A5P

Summary

Name:	6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one
Formula:	C19 H18 F3 N3 O
Formal charge:	0
Formula weight:	361.361 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one
OpenEye OEToolkits	2.0.7	6-cyclopropyl-2,4-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	FC(F)(F)c1ccc(cc1)Cc1c2C(C)=CN(C(=O)c2nn1C)C1CC1
InChI	InChI	1.06	InChI=1S/C19H18F3N3O/c1-11-10-25(14-7-8-14)18(26)17-16(11)15(24(2)23-17)9-12-3-5-13(6-4-12)19(20,21)22/h3-6,10,14H,7-9H2,1-2H3
InChIKey	InChI	1.06	SRPMRAXMAQMFJV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc2C(=O)N(C=C(C)c2c1Cc3ccc(cc3)C(F)(F)F)C4CC4
SMILES	CACTVS	3.385	Cn1nc2C(=O)N(C=C(C)c2c1Cc3ccc(cc3)C(F)(F)F)C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=CN(C(=O)c2c1c(n(n2)C)Cc3ccc(cc3)C(F)(F)F)C4CC4
SMILES	OpenEye OEToolkits	2.0.7	CC1=CN(C(=O)c2c1c(n(n2)C)Cc3ccc(cc3)C(F)(F)F)C4CC4

248335

PDB entries from 2026-01-28

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