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

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Related Compounds

2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
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Benzimidazole deriv. 5
CID 5329405
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1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
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CID 9865768
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CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904

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).