2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C30H23F4N3O — CID 70911308

IUPAC2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCCC(F)=C(F)F)cc5)cc4)cc-3n2)c1F
InChIInChI=1S/C30H23F4N3O/c1-19-3-2-4-24(28(19)32)30-35-26-13-15-37(18-27(26)36-30)17-20-5-7-21(8-6-20)22-9-11-23(12-10-22)38-16-14-25(31)29(33)34/h2-13,15,18H,14,16-17H2,1H3
InChIKeyCKANUYOMOZTOIY-UHFFFAOYSA-N
MW517.53 g/mol
LogP8.06
Rot. Bonds8

About 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 70911308) has the molecular formula C30H23F4N3O and a molecular weight of 517.53 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID70911308
Molecular FormulaC30H23F4N3O
Molecular Weight517.53 g/mol
Exact Mass517.18
IUPAC Name2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCCC(F)=C(F)F)cc5)cc4)cc-3n2)c1F
InChIInChI=1S/C30H23F4N3O/c1-19-3-2-4-24(28(19)32)30-35-26-13-15-37(18-27(26)36-30)17-20-5-7-21(8-6-20)22-9-11-23(12-10-22)38-16-14-25(31)29(33)34/h2-13,15,18H,14,16-17H2,1H3
InChIKeyCKANUYOMOZTOIY-UHFFFAOYSA-N
XLogP8.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.53
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)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-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 70911308) is 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Cc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCCC(F)=C(F)F)cc5)cc4)cc-3n2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is CKANUYOMOZTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F4N3O/c1-19-3-2-4-24(28(19)32)30-35-26-13-15-37(18-27(26)36-30)17-20-5-7-21(8-6-20)22-9-11-23(12-10-22)38-16-14-25(31)29(33)34/h2-13,15,18H,14,16-17H2,1H3.
What are the key properties of 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 517.53 g/mol, XLogP of 8.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-5-[[4-[4-(3,4,4-trifluorobut-3-enoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 70911308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).