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

C20H17FN6O — CID 137353259

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

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 137353259) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
• PubChem CID: 137353259
• Molecular Formula: C20H17FN6O
• Molecular Weight: 376.40 g/mol
• Exact Mass: 376.14
• IUPAC Name: N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
• SMILES: CC(C)c1cnc2nn(-c3cc(NC(=O)c4cnccn4)ccc3F)cc2c1
• InChI: InChI=1S/C20H17FN6O/c1-12(2)13-7-14-11-27(26-19(14)24-9-13)18-8-15(3-4-16(18)21)25-20(28)17-10-22-5-6-23-17/h3-12H,1-2H3,(H,25,28)
• InChIKey: OUACAEQEPDDZSU-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.40
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide (CID 137353259) is N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide.

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

The canonical SMILES for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide is CC(C)c1cnc2nn(-c3cc(NC(=O)c4cnccn4)ccc3F)cc2c1.

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

The InChIKey is OUACAEQEPDDZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12(2)13-7-14-11-27(26-19(14)24-9-13)18-8-15(3-4-16(18)21)25-20(28)17-10-22-5-6-23-17/h3-12H,1-2H3,(H,25,28).

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

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]pyrazine-2-carboxamide is sourced from PubChem (CID 137353259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).