English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

XHS

Summary

Name:	6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
Formula:	C23 H23 F N6 O
Formal charge:	0
Formula weight:	418.467 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
OpenEye OEToolkits	2.0.7	6-(2-fluoranyl-6-methoxy-phenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrazolo[4,3-c]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN1CCN(CC1)c2cccc(n2)n3c5c(cn3)cnc(c4c(cccc4OC)F)c5
InChI	InChI	1.03	InChI=1S/C23H23FN6O/c1-28-9-11-29(12-10-28)21-7-4-8-22(27-21)30-19-13-18(25-14-16(19)15-26-30)23-17(24)5-3-6-20(23)31-2/h3-8,13-15H,9-12H2,1-2H3
InChIKey	InChI	1.03	KAOYHQWWTGUIBS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc(F)c1c2cc3n(ncc3cn2)c4cccc(n4)N5CCN(C)CC5
SMILES	CACTVS	3.385	COc1cccc(F)c1c2cc3n(ncc3cn2)c4cccc(n4)N5CCN(C)CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC

247536

PDB entries from 2026-01-14

PDB statistics

PDBj update info

Contact PDBj

numon