6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C24H19F3N4O3S — CID 172516951

About 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 172516951) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 172516951
• Molecular Formula: C24H19F3N4O3S
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.11
• IUPAC Name: 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(NC(=O)c2csc3c2CCN(C(=O)c2cnc4ccccn24)C3)cc1C(F)(F)F
• InChI: InChI=1S/C24H19F3N4O3S/c1-34-19-6-5-14(10-17(19)24(25,26)27)29-22(32)16-13-35-20-12-30(9-7-15(16)20)23(33)18-11-28-21-4-2-3-8-31(18)21/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,29,32)
• InChIKey: JKVNGRWFJYJEPT-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 172516951) is 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2csc3c2CCN(C(=O)c2cnc4ccccn24)C3)cc1C(F)(F)F.

What is the InChIKey of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is JKVNGRWFJYJEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-34-19-6-5-14(10-17(19)24(25,26)27)29-22(32)16-13-35-20-12-30(9-7-15(16)20)23(33)18-11-28-21-4-2-3-8-31(18)21/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,29,32).

What are the key properties of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 500.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 172516951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).