4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C20H16F3N5O3S — CID 19537392

About 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19537392) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19537392
• Molecular Formula: C20H16F3N5O3S
• Molecular Weight: 463.44 g/mol
• Exact Mass: 463.09
• IUPAC Name: 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccnn1C(C)C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(-c3ccco3)c12
• InChI: InChI=1S/C20H16F3N5O3S/c1-9-5-6-25-28(9)10(2)18(30)27-15-14-11(12-4-3-7-31-12)8-13(20(21,22)23)26-19(14)32-16(15)17(24)29/h3-8,10H,1-2H3,(H2,24,29)(H,27,30)
• InChIKey: FUOOGTPETUIBQD-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 116.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.44
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19537392) is 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccnn1C(C)C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(-c3ccco3)c12.

What is the InChIKey of 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is FUOOGTPETUIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c1-9-5-6-25-28(9)10(2)18(30)27-15-14-11(12-4-3-7-31-12)8-13(20(21,22)23)26-19(14)32-16(15)17(24)29/h3-8,10H,1-2H3,(H2,24,29)(H,27,30).

What are the key properties of 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19537392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).