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

C32H37F3N6O3S — CID 169294842

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

N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 169294842) has the molecular formula C32H37F3N6O3S and a molecular weight of 642.75 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]-1-(2-fluorophenyl)methanesulfonamide.

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]-1-(2-fluorophenyl)methanesulfonamide
• PubChem CID: 169294842
• Molecular Formula: C32H37F3N6O3S
• Molecular Weight: 642.75 g/mol
• Exact Mass: 642.26
• IUPAC Name: N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-1-(2-fluorophenyl)methanesulfonamide
• SMILES: CC(C)n1nc(-c2cc(F)c(NS(=O)(=O)Cc3ccccc3F)cc2F)c2c(N)ncc(C3CCC(N4CCOCC4)CC3)c21
• InChI: InChI=1S/C32H37F3N6O3S/c1-19(2)41-31-24(20-7-9-22(10-8-20)40-11-13-44-14-12-40)17-37-32(36)29(31)30(38-41)23-15-27(35)28(16-26(23)34)39-45(42,43)18-21-5-3-4-6-25(21)33/h3-6,15-17,19-20,22,39H,7-14,18H2,1-2H3,(H2,36,37)
• InChIKey: BRWAXEGCXTVXHL-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.75
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-1-(2-fluorophenyl)methanesulfonamide?

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]-1-(2-fluorophenyl)methanesulfonamide (CID 169294842) is N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-1-(2-fluorophenyl)methanesulfonamide.

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]-1-(2-fluorophenyl)methanesulfonamide?

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]-1-(2-fluorophenyl)methanesulfonamide is CC(C)n1nc(-c2cc(F)c(NS(=O)(=O)Cc3ccccc3F)cc2F)c2c(N)ncc(C3CCC(N4CCOCC4)CC3)c21.

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]-1-(2-fluorophenyl)methanesulfonamide?

The InChIKey is BRWAXEGCXTVXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6O3S/c1-19(2)41-31-24(20-7-9-22(10-8-20)40-11-13-44-14-12-40)17-37-32(36)29(31)30(38-41)23-15-27(35)28(16-26(23)34)39-45(42,43)18-21-5-3-4-6-25(21)33/h3-6,15-17,19-20,22,39H,7-14,18H2,1-2H3,(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]-1-(2-fluorophenyl)methanesulfonamide?

N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 642.75 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 169294842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).