2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C31H24F5N3O2 — CID 59130532

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCC6CCCO6)cc5C(F)(F)F)cc4)cc-3n2)c1F
InChIInChI=1S/C31H24F5N3O2/c32-26-5-1-4-24(29(26)33)30-37-27-12-13-39(17-28(27)38-30)16-19-6-8-20(9-7-19)23-11-10-21(15-25(23)31(34,35)36)41-18-22-3-2-14-40-22/h1,4-13,15,17,22H,2-3,14,16,18H2
InChIKeyJYXZGXVZUOPZKC-UHFFFAOYSA-N
MW565.54 g/mol
LogP7.62
Rot. Bonds7

About 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130532) has the molecular formula C31H24F5N3O2 and a molecular weight of 565.54 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130532
Molecular FormulaC31H24F5N3O2
Molecular Weight565.54 g/mol
Exact Mass565.18
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCC6CCCO6)cc5C(F)(F)F)cc4)cc-3n2)c1F
InChIInChI=1S/C31H24F5N3O2/c32-26-5-1-4-24(29(26)33)30-37-27-12-13-39(17-28(27)38-30)16-19-6-8-20(9-7-19)23-11-10-21(15-25(23)31(34,35)36)41-18-22-3-2-14-40-22/h1,4-13,15,17,22H,2-3,14,16,18H2
InChIKeyJYXZGXVZUOPZKC-UHFFFAOYSA-N
XLogP7.62
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.54
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine
CID 134179385
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682
2-Ethyl-7-(4-methoxy-2-methylphenyl)-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44458969
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
cis-3-(4-(Aminomethyl)cyclohexyl)-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-8-amine
CID 11750704
5-[2-(4-Benzyl-phenoxy)-ethyl]-5H-imidazo[4,5-c]pyridine
CID 18678160
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine
CID 18678176
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine
CID 18678179

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130532) is 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Fc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCC6CCCO6)cc5C(F)(F)F)cc4)cc-3n2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is JYXZGXVZUOPZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F5N3O2/c32-26-5-1-4-24(29(26)33)30-37-27-12-13-39(17-28(27)38-30)16-19-6-8-20(9-7-19)23-11-10-21(15-25(23)31(34,35)36)41-18-22-3-2-14-40-22/h1,4-13,15,17,22H,2-3,14,16,18H2.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 565.54 g/mol, XLogP of 7.62, 7 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-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).