1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide

C24H26Cl2N4O4S — CID 168934771

About 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide

1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide (PubChem CID 168934771) has the molecular formula C24H26Cl2N4O4S and a molecular weight of 537.47 g/mol. Its IUPAC name is 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 168934771
• Molecular Formula: C24H26Cl2N4O4S
• Molecular Weight: 537.47 g/mol
• Exact Mass: 536.11
• IUPAC Name: 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide
• SMILES: CNS(=O)(=O)Cc1cc(Cl)cc(-c2c3c(nn2C)[C@H](C)N(C(=O)c2cccc(OC)c2Cl)CC3)c1
• InChI: InChI=1S/C24H26Cl2N4O4S/c1-14-22-19(8-9-30(14)24(31)18-6-5-7-20(34-4)21(18)26)23(29(3)28-22)16-10-15(11-17(25)12-16)13-35(32,33)27-2/h5-7,10-12,14,27H,8-9,13H2,1-4H3/t14-/m0/s1
• InChIKey: CDJVZDRSWJUSDD-AWEZNQCLSA-N
• XLogP: 4.21
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.47
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide?

The IUPAC name of 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide (CID 168934771) is 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cc(Cl)cc(-c2c3c(nn2C)[C@H](C)N(C(=O)c2cccc(OC)c2Cl)CC3)c1.

What is the InChIKey of 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide?

The InChIKey is CDJVZDRSWJUSDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26Cl2N4O4S/c1-14-22-19(8-9-30(14)24(31)18-6-5-7-20(34-4)21(18)26)23(29(3)28-22)16-10-15(11-17(25)12-16)13-35(32,33)27-2/h5-7,10-12,14,27H,8-9,13H2,1-4H3/t14-/m0/s1.

What are the key properties of 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide?

1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 537.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 168934771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).