N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide

C29H27ClF3N7O4S — CID 175683007

About N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide

N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide (PubChem CID 175683007) has the molecular formula C29H27ClF3N7O4S and a molecular weight of 662.09 g/mol. Its IUPAC name is N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
• PubChem CID: 175683007
• Molecular Formula: C29H27ClF3N7O4S
• Molecular Weight: 662.09 g/mol
• Exact Mass: 661.15
• IUPAC Name: N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
• SMILES: Cn1nc(-c2ccc(NS(=O)(=O)C(F)F)c(OCc3ccc(Cl)c(F)c3)c2)c2c(N)ncc(-c3cnn(C4CCOCC4)c3)c21
• InChI: InChI=1S/C29H27ClF3N7O4S/c1-39-27-20(18-12-36-40(14-18)19-6-8-43-9-7-19)13-35-28(34)25(27)26(37-39)17-3-5-23(38-45(41,42)29(32)33)24(11-17)44-15-16-2-4-21(30)22(31)10-16/h2-5,10-14,19,29,38H,6-9,15H2,1H3,(H2,34,35)
• InChIKey: UFUIIZLISVINJO-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 139.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.09
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?

The IUPAC name of N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide (CID 175683007) is N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide.

What is the SMILES notation for N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?

The canonical SMILES for N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide is Cn1nc(-c2ccc(NS(=O)(=O)C(F)F)c(OCc3ccc(Cl)c(F)c3)c2)c2c(N)ncc(-c3cnn(C4CCOCC4)c3)c21.

What is the InChIKey of N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?

The InChIKey is UFUIIZLISVINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF3N7O4S/c1-39-27-20(18-12-36-40(14-18)19-6-8-43-9-7-19)13-35-28(34)25(27)26(37-39)17-3-5-23(38-45(41,42)29(32)33)24(11-17)44-15-16-2-4-21(30)22(31)10-16/h2-5,10-14,19,29,38H,6-9,15H2,1H3,(H2,34,35).

What are the key properties of N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?

N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 662.09 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 175683007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).