N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide

C32H37F3N6O4S — CID 169489766

About N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide

N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide (PubChem CID 169489766) has the molecular formula C32H37F3N6O4S and a molecular weight of 658.75 g/mol. Its IUPAC name is N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide
• PubChem CID: 169489766
• Molecular Formula: C32H37F3N6O4S
• Molecular Weight: 658.75 g/mol
• Exact Mass: 658.25
• IUPAC Name: N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide
• SMILES: COc1ccc(F)c(S(=O)(=O)Nc2cc(F)c(-c3nn(C(C)C)c4c(C5CCC(N6CCOCC6)CC5)cnc(N)c34)cc2F)c1
• InChI: InChI=1S/C32H37F3N6O4S/c1-18(2)41-31-23(19-4-6-20(7-5-19)40-10-12-45-13-11-40)17-37-32(36)29(31)30(38-41)22-15-26(35)27(16-25(22)34)39-46(42,43)28-14-21(44-3)8-9-24(28)33/h8-9,14-20,39H,4-7,10-13H2,1-3H3,(H2,36,37)
• InChIKey: JZEDOXANMUHLLN-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 124.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.75
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide?

The IUPAC name of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide (CID 169489766) is N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide.

What is the SMILES notation for N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide?

The canonical SMILES for N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide is COc1ccc(F)c(S(=O)(=O)Nc2cc(F)c(-c3nn(C(C)C)c4c(C5CCC(N6CCOCC6)CC5)cnc(N)c34)cc2F)c1.

What is the InChIKey of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide?

The InChIKey is JZEDOXANMUHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6O4S/c1-18(2)41-31-23(19-4-6-20(7-5-19)40-10-12-45-13-11-40)17-37-32(36)29(31)30(38-41)22-15-26(35)27(16-25(22)34)39-46(42,43)28-14-21(44-3)8-9-24(28)33/h8-9,14-20,39H,4-7,10-13H2,1-3H3,(H2,36,37).

What are the key properties of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide?

N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide has a molecular weight of 658.75 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methoxybenzenesulfonamide is sourced from PubChem (CID 169489766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).