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

C29H24F3N3O — CID 59130512

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCC(C)COc1cc(F)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C29H24F3N3O/c1-18(2)17-36-27-14-21(30)10-11-22(27)20-8-6-19(7-9-20)15-35-13-12-25-26(16-35)34-29(33-25)23-4-3-5-24(31)28(23)32/h3-14,16,18H,15,17H2,1-2H3
InChIKeyXXMBSGLJJKGSQG-UHFFFAOYSA-N
MW487.53 g/mol
LogP7.22
Rot. Bonds7

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

2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130512) has the molecular formula C29H24F3N3O and a molecular weight of 487.53 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130512
Molecular FormulaC29H24F3N3O
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCC(C)COc1cc(F)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C29H24F3N3O/c1-18(2)17-36-27-14-21(30)10-11-22(27)20-8-6-19(7-9-20)15-35-13-12-25-26(16-35)34-29(33-25)23-4-3-5-24(31)28(23)32/h3-14,16,18H,15,17H2,1-2H3
InChIKeyXXMBSGLJJKGSQG-UHFFFAOYSA-N
XLogP7.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 57.22
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-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130512) is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is CC(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-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is XXMBSGLJJKGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O/c1-18(2)17-36-27-14-21(30)10-11-22(27)20-8-6-19(7-9-20)15-35-13-12-25-26(16-35)34-29(33-25)23-4-3-5-24(31)28(23)32/h3-14,16,18H,15,17H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 487.53 g/mol, XLogP of 7.22, 7 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-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).