6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C24H22F2N4O4S — CID 19416168

About 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416168) has the molecular formula C24H22F2N4O4S and a molecular weight of 500.53 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19416168
• Molecular Formula: C24H22F2N4O4S
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.13
• IUPAC Name: 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1ccc(CN2CCCCC2)o1
• InChI: InChI=1S/C24H22F2N4O4S/c25-21(26)15-11-14(16-5-4-10-33-16)18-19(20(22(27)31)35-24(18)28-15)29-23(32)17-7-6-13(34-17)12-30-8-2-1-3-9-30/h4-7,10-11,21H,1-3,8-9,12H2,(H2,27,31)(H,29,32)
• InChIKey: MZWSCZKRBZRFLS-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 114.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19416168) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1ccc(CN2CCCCC2)o1.

What is the InChIKey of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is MZWSCZKRBZRFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4S/c25-21(26)15-11-14(16-5-4-10-33-16)18-19(20(22(27)31)35-24(18)28-15)29-23(32)17-7-6-13(34-17)12-30-8-2-1-3-9-30/h4-7,10-11,21H,1-3,8-9,12H2,(H2,27,31)(H,29,32).

What are the key properties of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).