2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C31H23F3N4O — CID 59130527

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(OCCn2cccc2)c1
InChIInChI=1S/C31H23F3N4O/c32-23-10-11-24(29(18-23)39-17-16-37-13-1-2-14-37)22-8-6-21(7-9-22)19-38-15-12-27-28(20-38)36-31(35-27)25-4-3-5-26(33)30(25)34/h1-15,18,20H,16-17,19H2
InChIKeyRPQMGBGIVWFDQL-UHFFFAOYSA-N
MW524.55 g/mol
LogP7.06
Rot. Bonds8

About 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130527) has the molecular formula C31H23F3N4O and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130527
Molecular FormulaC31H23F3N4O
Molecular Weight524.55 g/mol
Exact Mass524.18
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(OCCn2cccc2)c1
InChIInChI=1S/C31H23F3N4O/c32-23-10-11-24(29(18-23)39-17-16-37-13-1-2-14-37)22-8-6-21(7-9-22)19-38-15-12-27-28(20-38)36-31(35-27)25-4-3-5-26(33)30(25)34/h1-15,18,20H,16-17,19H2
InChIKeyRPQMGBGIVWFDQL-UHFFFAOYSA-N
XLogP7.06
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130527) is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Fc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(OCCn2cccc2)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is RPQMGBGIVWFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N4O/c32-23-10-11-24(29(18-23)39-17-16-37-13-1-2-14-37)22-8-6-21(7-9-22)19-38-15-12-27-28(20-38)36-31(35-27)25-4-3-5-26(33)30(25)34/h1-15,18,20H,16-17,19H2.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 524.55 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).