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

C23H24F3N7O2 — CID 118207022

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 118207022) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 118207022
• Molecular Formula: C23H24F3N7O2
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.19
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(F)(F)C1
• InChI: InChI=1S/C23H24F3N7O2/c1-22(2,35)18(24)12-30-21(34)16-11-28-19(6-17(16)32-15-3-4-23(25,26)7-15)33-20-14(10-31-33)5-13(8-27)9-29-20/h5-6,9-11,15,18,35H,3-4,7,12H2,1-2H3,(H,28,32)(H,30,34)
• InChIKey: JIHUQPSKFFAMQP-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 128.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 118207022) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

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

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

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

The InChIKey is JIHUQPSKFFAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-22(2,35)18(24)12-30-21(34)16-11-28-19(6-17(16)32-15-3-4-23(25,26)7-15)33-20-14(10-31-33)5-13(8-27)9-29-20/h5-6,9-11,15,18,35H,3-4,7,12H2,1-2H3,(H,28,32)(H,30,34).

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 118207022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).