N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H16ClF3N4O3 — CID 55521268

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55521268) has the molecular formula C21H16ClF3N4O3 and a molecular weight of 464.83 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55521268
• Molecular Formula: C21H16ClF3N4O3
• Molecular Weight: 464.83 g/mol
• Exact Mass: 464.09
• IUPAC Name: N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)c12
• InChI: InChI=1S/C21H16ClF3N4O3/c1-11-18-13(9-15(16-4-3-7-31-16)26-19(18)29(2)28-11)20(30)27-14-8-12(22)5-6-17(14)32-10-21(23,24)25/h3-9H,10H2,1-2H3,(H,27,30)
• InChIKey: AFGDMGJWKGAVPJ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.83
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55521268) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)c12.

What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is AFGDMGJWKGAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3/c1-11-18-13(9-15(16-4-3-7-31-16)26-19(18)29(2)28-11)20(30)27-14-8-12(22)5-6-17(14)32-10-21(23,24)25/h3-9H,10H2,1-2H3,(H,27,30).

What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 464.83 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55521268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).