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

C32H26F2N4O — CID 59130618

IUPAC2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCc1cc(OCCn2cccc2)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C32H26F2N4O/c1-22-19-25(39-18-17-37-14-2-3-15-37)11-12-26(22)24-9-7-23(8-10-24)20-38-16-13-29-30(21-38)36-32(35-29)27-5-4-6-28(33)31(27)34/h2-16,19,21H,17-18,20H2,1H3
InChIKeyNWQBECAJRHNIDX-UHFFFAOYSA-N
MW520.58 g/mol
LogP7.23
Rot. Bonds8

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

2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130618) has the molecular formula C32H26F2N4O and a molecular weight of 520.58 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130618
Molecular FormulaC32H26F2N4O
Molecular Weight520.58 g/mol
Exact Mass520.21
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCc1cc(OCCn2cccc2)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C32H26F2N4O/c1-22-19-25(39-18-17-37-14-2-3-15-37)11-12-26(22)24-9-7-23(8-10-24)20-38-16-13-29-30(21-38)36-32(35-29)27-5-4-6-28(33)31(27)34/h2-16,19,21H,17-18,20H2,1H3
InChIKeyNWQBECAJRHNIDX-UHFFFAOYSA-N
XLogP7.23
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 57.23
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-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130618) is 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Cc1cc(OCCn2cccc2)ccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is NWQBECAJRHNIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O/c1-22-19-25(39-18-17-37-14-2-3-15-37)11-12-26(22)24-9-7-23(8-10-24)20-38-16-13-29-30(21-38)36-32(35-29)27-5-4-6-28(33)31(27)34/h2-16,19,21H,17-18,20H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 520.58 g/mol, XLogP of 7.23, 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-[2-methyl-4-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).