4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide

C22H25F3N6O2 — CID 118206569

About 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide

4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide (PubChem CID 118206569) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide
• PubChem CID: 118206569
• Molecular Formula: C22H25F3N6O2
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.20
• IUPAC Name: 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(F)cnc32)cc1NC1CCC(F)C1
• InChI: InChI=1S/C22H25F3N6O2/c1-22(2,33)18(25)11-28-21(32)16-10-26-19(7-17(16)30-15-4-3-13(23)6-15)31-20-12(8-29-31)5-14(24)9-27-20/h5,7-10,13,15,18,33H,3-4,6,11H2,1-2H3,(H,26,30)(H,28,32)
• InChIKey: DYBZYXWEMQGBKG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide (CID 118206569) is 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(F)cnc32)cc1NC1CCC(F)C1.

What is the InChIKey of 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide?

The InChIKey is DYBZYXWEMQGBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-22(2,33)18(25)11-28-21(32)16-10-26-19(7-17(16)30-15-4-3-13(23)6-15)31-20-12(8-29-31)5-14(24)9-27-20/h5,7-10,13,15,18,33H,3-4,6,11H2,1-2H3,(H,26,30)(H,28,32).

What are the key properties of 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide?

4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118206569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).