N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide

C21H25FN4O — CID 142487172

About N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide (PubChem CID 142487172) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide
• PubChem CID: 142487172
• Molecular Formula: C21H25FN4O
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.20
• IUPAC Name: N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide
• SMILES: CC(C)c1cnc2nn(-c3cc(NC(=O)CC(C)(C)C)ccc3F)cc2c1
• InChI: InChI=1S/C21H25FN4O/c1-13(2)14-8-15-12-26(25-20(15)23-11-14)18-9-16(6-7-17(18)22)24-19(27)10-21(3,4)5/h6-9,11-13H,10H2,1-5H3,(H,24,27)
• InChIKey: WWDCLWUORTVYKB-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide (CID 142487172) is N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide is CC(C)c1cnc2nn(-c3cc(NC(=O)CC(C)(C)C)ccc3F)cc2c1.

What is the InChIKey of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide?

The InChIKey is WWDCLWUORTVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13(2)14-8-15-12-26(25-20(15)23-11-14)18-9-16(6-7-17(18)22)24-19(27)10-21(3,4)5/h6-9,11-13H,10H2,1-5H3,(H,24,27).

What are the key properties of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide?

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 368.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 142487172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).