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

4V9

Summary

Name:	3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
Formula:	C17 H15 F N4
Formal charge:	0
Formula weight:	294.326 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
OpenEye OEToolkits	1.9.2	3-(4-fluorophenyl)-5-pyridin-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccccn1)N4Cc3c(c2ccc(F)cc2)nnc3CC4
InChI	InChI	1.03	InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21)
InChIKey	InChI	1.03	ZJRNBCJAMQCQNC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4
SMILES	CACTVS	3.385	Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2
SMILES	OpenEye OEToolkits	1.9.2	c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon