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

C22H17F2N7O3S — CID 19514045

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

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19514045) has the molecular formula C22H17F2N7O3S and a molecular weight of 497.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19514045
• Molecular Formula: C22H17F2N7O3S
• Molecular Weight: 497.49 g/mol
• Exact Mass: 497.11
• IUPAC Name: 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc(-c4ccco4)[nH]n3)c12
• InChI: InChI=1S/C22H17F2N7O3S/c1-9-11(8-31(2)30-9)10-6-13(19(23)24)26-22-16(10)17(18(35-22)20(25)32)27-21(33)14-7-12(28-29-14)15-4-3-5-34-15/h3-8,19H,1-2H3,(H2,25,32)(H,27,33)(H,28,29)
• InChIKey: JKZZAMZORGZJOC-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 144.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.49
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19514045) is 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc(-c4ccco4)[nH]n3)c12.

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

The InChIKey is JKZZAMZORGZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O3S/c1-9-11(8-31(2)30-9)10-6-13(19(23)24)26-22-16(10)17(18(35-22)20(25)32)27-21(33)14-7-12(28-29-14)15-4-3-5-34-15/h3-8,19H,1-2H3,(H2,25,32)(H,27,33)(H,28,29).

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

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 497.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19514045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).