2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C32H23F5N4O — CID 59130517

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCCn6cccc6)cc5C(F)(F)F)cc4)cc-3n2)c1F
InChIInChI=1S/C32H23F5N4O/c33-27-5-3-4-25(30(27)34)31-38-28-12-15-41(20-29(28)39-31)19-21-6-8-22(9-7-21)24-11-10-23(18-26(24)32(35,36)37)42-17-16-40-13-1-2-14-40/h1-15,18,20H,16-17,19H2
InChIKeyWXPNEBILZYHWSZ-UHFFFAOYSA-N
MW574.55 g/mol
LogP7.94
Rot. Bonds8

About 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130517) has the molecular formula C32H23F5N4O and a molecular weight of 574.55 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130517
Molecular FormulaC32H23F5N4O
Molecular Weight574.55 g/mol
Exact Mass574.18
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCCn6cccc6)cc5C(F)(F)F)cc4)cc-3n2)c1F
InChIInChI=1S/C32H23F5N4O/c33-27-5-3-4-25(30(27)34)31-38-28-12-15-41(20-29(28)39-31)19-21-6-8-22(9-7-21)24-11-10-23(18-26(24)32(35,36)37)42-17-16-40-13-1-2-14-40/h1-15,18,20H,16-17,19H2
InChIKeyWXPNEBILZYHWSZ-UHFFFAOYSA-N
XLogP7.94
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130517) is 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Fc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCCn6cccc6)cc5C(F)(F)F)cc4)cc-3n2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is WXPNEBILZYHWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F5N4O/c33-27-5-3-4-25(30(27)34)31-38-28-12-15-41(20-29(28)39-31)19-21-6-8-22(9-7-21)24-11-10-23(18-26(24)32(35,36)37)42-17-16-40-13-1-2-14-40/h1-15,18,20H,16-17,19H2.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 574.55 g/mol, XLogP of 7.94, 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-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).