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

C21H17F2N5O — CID 137352918

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

5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 137352918) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 137352918
• Molecular Formula: C21H17F2N5O
• Molecular Weight: 393.40 g/mol
• Exact Mass: 393.14
• IUPAC Name: 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• SMILES: CC(C)c1cnc2nn(-c3cc(NC(=O)c4ccc(F)cn4)ccc3F)cc2c1
• InChI: InChI=1S/C21H17F2N5O/c1-12(2)13-7-14-11-28(27-20(14)25-9-13)19-8-16(4-5-17(19)23)26-21(29)18-6-3-15(22)10-24-18/h3-12H,1-2H3,(H,26,29)
• InChIKey: FQEVZXUDOJOXFD-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.40
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 137352918) is 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is CC(C)c1cnc2nn(-c3cc(NC(=O)c4ccc(F)cn4)ccc3F)cc2c1.

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

The InChIKey is FQEVZXUDOJOXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-12(2)13-7-14-11-28(27-20(14)25-9-13)19-8-16(4-5-17(19)23)26-21(29)18-6-3-15(22)10-24-18/h3-12H,1-2H3,(H,26,29).

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

5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 137352918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).