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

C23H22F3N9O2 — CID 118206475

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 118206475) has the molecular formula C23H22F3N9O2 and a molecular weight of 513.48 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]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-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 118206475
• Molecular Formula: C23H22F3N9O2
• Molecular Weight: 513.48 g/mol
• Exact Mass: 513.18
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1
• InChI: InChI=1S/C23H22F3N9O2/c1-23(2,37)18(24)10-30-22(36)16-9-28-20(35-21-14(7-32-35)3-13(5-27)6-29-21)4-17(16)33-15-8-31-34(11-15)12-19(25)26/h3-4,6-9,11,18-19,37H,10,12H2,1-2H3,(H,28,33)(H,30,36)
• InChIKey: IBOZZZSAWUVNEQ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 146.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.48
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]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-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 118206475) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]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-[[1-(2,2-difluoroethyl)pyrazol-4-yl]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-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1.

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

The InChIKey is IBOZZZSAWUVNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N9O2/c1-23(2,37)18(24)10-30-22(36)16-9-28-20(35-21-14(7-32-35)3-13(5-27)6-29-21)4-17(16)33-15-8-31-34(11-15)12-19(25)26/h3-4,6-9,11,18-19,37H,10,12H2,1-2H3,(H,28,33)(H,30,36).

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 513.48 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 118206475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).