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

C23H24ClF3N8O2 — CID 118206712

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

6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 118206712) has the molecular formula C23H24ClF3N8O2 and a molecular weight of 536.95 g/mol. Its IUPAC name is 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 118206712
• Molecular Formula: C23H24ClF3N8O2
• Molecular Weight: 536.95 g/mol
• Exact Mass: 536.17
• IUPAC Name: 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(F)(F)Cn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NCC(F)C(C)(C)O)cn1
• InChI: InChI=1S/C23H24ClF3N8O2/c1-22(2,37)18(25)10-30-21(36)16-9-28-19(35-20-13(6-32-35)4-14(24)7-29-20)5-17(16)33-15-8-31-34(11-15)12-23(3,26)27/h4-9,11,18,37H,10,12H2,1-3H3,(H,28,33)(H,30,36)
• InChIKey: YCWXXNCLYYNMMU-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 122.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.95
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 118206712) is 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

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

The canonical SMILES for 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(F)(F)Cn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NCC(F)C(C)(C)O)cn1.

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

The InChIKey is YCWXXNCLYYNMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N8O2/c1-22(2,37)18(25)10-30-21(36)16-9-28-19(35-20-13(6-32-35)4-14(24)7-29-20)5-17(16)33-15-8-31-34(11-15)12-23(3,26)27/h4-9,11,18,37H,10,12H2,1-3H3,(H,28,33)(H,30,36).

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

6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 536.95 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloropyrazolo[3,4-b]pyridin-1-yl)-4-[[1-(2,2-difluoropropyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 118206712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).