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

C25H24F2N4O3S2 — CID 19416170

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

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416170) has the molecular formula C25H24F2N4O3S2 and a molecular weight of 530.62 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19416170
• Molecular Formula: C25H24F2N4O3S2
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.13
• IUPAC Name: 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(CN5CCCCC5)o4)c23)s1
• InChI: InChI=1S/C25H24F2N4O3S2/c1-13-5-8-18(35-13)15-11-16(22(26)27)29-25-19(15)20(21(36-25)23(28)32)30-24(33)17-7-6-14(34-17)12-31-9-3-2-4-10-31/h5-8,11,22H,2-4,9-10,12H2,1H3,(H2,28,32)(H,30,33)
• InChIKey: SSIUNBXXFVKQGB-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 101.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19416170) is 6-(difluoromethyl)-4-(5-methylthiophen-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-(5-methylthiophen-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-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(CN5CCCCC5)o4)c23)s1.

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

The InChIKey is SSIUNBXXFVKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3S2/c1-13-5-8-18(35-13)15-11-16(22(26)27)29-25-19(15)20(21(36-25)23(28)32)30-24(33)17-7-6-14(34-17)12-31-9-3-2-4-10-31/h5-8,11,22H,2-4,9-10,12H2,1H3,(H2,28,32)(H,30,33).

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

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 530.62 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).