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Summary Geometry Related PDB entries

A1A59

Summary

Name:	3-[(7-azaspiro[3.5]nonan-7-yl)methyl]-4-cyclopropyl-6-ethyl-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one
Formula:	C21 H30 N4 O
Formal charge:	0
Formula weight:	354.489 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	3-[(7-azaspiro[3.5]nonan-7-yl)methyl]-4-cyclopropyl-6-ethyl-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one
OpenEye OEToolkits	2.0.7	3-(7-azaspiro[3.5]nonan-7-ylmethyl)-4-cyclopropyl-6-ethyl-2-methyl-pyrazolo[3,4-c]pyridin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CCN1C=C(c2c(CN3CCC4(CCC4)CC3)n(C)nc2C1=O)C1CC1
InChI	InChI	1.06	InChI=1S/C21H30N4O/c1-3-25-13-16(15-5-6-15)18-17(23(2)22-19(18)20(25)26)14-24-11-9-21(10-12-24)7-4-8-21/h13,15H,3-12,14H2,1-2H3
InChIKey	InChI	1.06	ASAIHTZSRMFCDC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN1C=C(C2CC2)c3c(CN4CCC5(CCC5)CC4)n(C)nc3C1=O
SMILES	CACTVS	3.385	CCN1C=C(C2CC2)c3c(CN4CCC5(CCC5)CC4)n(C)nc3C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN1C=C(c2c(n(nc2C1=O)C)CN3CCC4(CCC4)CC3)C5CC5
SMILES	OpenEye OEToolkits	2.0.7	CCN1C=C(c2c(n(nc2C1=O)C)CN3CCC4(CCC4)CC3)C5CC5

248335

PDB entries from 2026-01-28

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