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

C23H21FN4O3S2 — CID 66557550

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

1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 66557550) has the molecular formula C23H21FN4O3S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide
• PubChem CID: 66557550
• Molecular Formula: C23H21FN4O3S2
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.10
• IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide
• SMILES: Cc1nc2c(C(=O)NCc3cccs3)nc(-c3ccc(F)cc3)cc2n1C1CCS(=O)(=O)C1
• InChI: InChI=1S/C23H21FN4O3S2/c1-14-26-21-20(28(14)17-8-10-33(30,31)13-17)11-19(15-4-6-16(24)7-5-15)27-22(21)23(29)25-12-18-3-2-9-32-18/h2-7,9,11,17H,8,10,12-13H2,1H3,(H,25,29)
• InChIKey: ROLNEJSQMLLHMF-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 93.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide?

The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide (CID 66557550) is 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide.

What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide?

The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide is Cc1nc2c(C(=O)NCc3cccs3)nc(-c3ccc(F)cc3)cc2n1C1CCS(=O)(=O)C1.

What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide?

The InChIKey is ROLNEJSQMLLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S2/c1-14-26-21-20(28(14)17-8-10-33(30,31)13-17)11-19(15-4-6-16(24)7-5-15)27-22(21)23(29)25-12-18-3-2-9-32-18/h2-7,9,11,17H,8,10,12-13H2,1H3,(H,25,29).

What are the key properties of 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide?

1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 66557550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).