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

C21H13F2N5O3S2 — CID 19509284

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509284) has the molecular formula C21H13F2N5O3S2 and a molecular weight of 485.50 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19509284
• Molecular Formula: C21H13F2N5O3S2
• Molecular Weight: 485.50 g/mol
• Exact Mass: 485.04
• IUPAC Name: 6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2cccs2)[nH]n1
• InChI: InChI=1S/C21H13F2N5O3S2/c22-18(23)11-7-9(13-3-1-5-31-13)15-16(17(19(24)29)33-21(15)25-11)26-20(30)12-8-10(27-28-12)14-4-2-6-32-14/h1-8,18H,(H2,24,29)(H,26,30)(H,27,28)
• InChIKey: KELGZKKIGZKRPD-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 126.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19509284) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2cccs2)[nH]n1.

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

The InChIKey is KELGZKKIGZKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O3S2/c22-18(23)11-7-9(13-3-1-5-31-13)15-16(17(19(24)29)33-21(15)25-11)26-20(30)12-8-10(27-28-12)14-4-2-6-32-14/h1-8,18H,(H2,24,29)(H,26,30)(H,27,28).

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 485.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 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-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).