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

C25H23FN4O3S — CID 56727662

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-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)cc3)n2)cc1
InChIInChI=1S/C25H23FN4O3S/c1-15-3-5-17(6-4-15)21-13-22-23(27-16(2)30(22)20-11-12-34(32,33)14-20)24(29-21)25(31)28-19-9-7-18(26)8-10-19/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,31)
InChIKeyQIZDZICAAPHLKR-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.47
Rot. Bonds4

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

1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 56727662) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID56727662
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-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)cc3)n2)cc1
InChIInChI=1S/C25H23FN4O3S/c1-15-3-5-17(6-4-15)21-13-22-23(27-16(2)30(22)20-11-12-34(32,33)14-20)24(29-21)25(31)28-19-9-7-18(26)8-10-19/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,31)
InChIKeyQIZDZICAAPHLKR-UHFFFAOYSA-N
XLogP4.47
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 56727663
1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 66557550
[1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 66557484
1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
CID 66557476
1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
CID 56726194
1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-yl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 66557557
sodium 1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxylate
CID 56726083
N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide
CID 66557570
1-(1,1-dioxothiolan-3-yl)-N-(1-methoxypropan-2-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725618
1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725632
1-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725606
[1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 66557475

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide (CID 56727662) is 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-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)cc3)n2)cc1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is QIZDZICAAPHLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-15-3-5-17(6-4-15)21-13-22-23(27-16(2)30(22)20-11-12-34(32,33)14-20)24(29-21)25(31)28-19-9-7-18(26)8-10-19/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,31).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 56727662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).