N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H20N4O2S — CID 55614437

About N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55614437) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55614437
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC(C)Cc3ccco3)c12
• InChI: InChI=1S/C20H20N4O2S/c1-12(10-14-6-4-8-26-14)21-20(25)15-11-16(17-7-5-9-27-17)22-19-18(15)13(2)23-24(19)3/h4-9,11-12H,10H2,1-3H3,(H,21,25)
• InChIKey: BKROAAADKOMMKB-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55614437) is N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC(C)Cc3ccco3)c12.

What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is BKROAAADKOMMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(10-14-6-4-8-26-14)21-20(25)15-11-16(17-7-5-9-27-17)22-19-18(15)13(2)23-24(19)3/h4-9,11-12H,10H2,1-3H3,(H,21,25).

What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55614437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).