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

C30H26F3N3O — CID 59130691

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCCC(C)COc1cc(F)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C30H26F3N3O/c1-3-19(2)18-37-28-15-22(31)11-12-23(28)21-9-7-20(8-10-21)16-36-14-13-26-27(17-36)35-30(34-26)24-5-4-6-25(32)29(24)33/h4-15,17,19H,3,16,18H2,1-2H3
InChIKeyBUYDDZAETOJPGQ-UHFFFAOYSA-N
MW501.55 g/mol
LogP7.61
Rot. Bonds8

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

2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130691) has the molecular formula C30H26F3N3O and a molecular weight of 501.55 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130691
Molecular FormulaC30H26F3N3O
Molecular Weight501.55 g/mol
Exact Mass501.20
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCCC(C)COc1cc(F)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C30H26F3N3O/c1-3-19(2)18-37-28-15-22(31)11-12-23(28)21-9-7-20(8-10-21)16-36-14-13-26-27(17-36)35-30(34-26)24-5-4-6-25(32)29(24)33/h4-15,17,19H,3,16,18H2,1-2H3
InChIKeyBUYDDZAETOJPGQ-UHFFFAOYSA-N
XLogP7.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130691) is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is CCC(C)COc1cc(F)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is BUYDDZAETOJPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O/c1-3-19(2)18-37-28-15-22(31)11-12-23(28)21-9-7-20(8-10-21)16-36-14-13-26-27(17-36)35-30(34-26)24-5-4-6-25(32)29(24)33/h4-15,17,19H,3,16,18H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 501.55 g/mol, XLogP of 7.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylbutoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).