N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide

C25H22F2N4O3S — CID 56727663

IUPACN-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc3c(nc(C)n3C3CCS(=O)(=O)C3)c(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C25H22F2N4O3S/c1-14-3-5-16(6-4-14)21-12-22-23(28-15(2)31(22)18-9-10-35(33,34)13-18)24(30-21)25(32)29-17-7-8-19(26)20(27)11-17/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,29,32)
InChIKeyGXANQAPMPZTZPI-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.61
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide

N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 56727663) has the molecular formula C25H22F2N4O3S and a molecular weight of 496.54 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID56727663
Molecular FormulaC25H22F2N4O3S
Molecular Weight496.54 g/mol
Exact Mass496.14
IUPAC NameN-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc3c(nc(C)n3C3CCS(=O)(=O)C3)c(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C25H22F2N4O3S/c1-14-3-5-16(6-4-14)21-12-22-23(28-15(2)31(22)18-9-10-35(33,34)13-18)24(30-21)25(32)29-17-7-8-19(26)20(27)11-17/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,29,32)
InChIKeyGXANQAPMPZTZPI-UHFFFAOYSA-N
XLogP4.61
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide (CID 56727663) is N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide is Cc1ccc(-c2cc3c(nc(C)n3C3CCS(=O)(=O)C3)c(C(=O)Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is GXANQAPMPZTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3S/c1-14-3-5-16(6-4-14)21-12-22-23(28-15(2)31(22)18-9-10-35(33,34)13-18)24(30-21)25(32)29-17-7-8-19(26)20(27)11-17/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,29,32).
What are the key properties of N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 56727663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).