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

C24H26Cl2N4O4S — CID 168935004

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

N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide (PubChem CID 168935004) has the molecular formula C24H26Cl2N4O4S and a molecular weight of 537.47 g/mol. Its IUPAC name is N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide
• PubChem CID: 168935004
• Molecular Formula: C24H26Cl2N4O4S
• Molecular Weight: 537.47 g/mol
• Exact Mass: 536.11
• IUPAC Name: N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide
• SMILES: COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(Cl)cc(CNS(C)(=O)=O)c3)[C@@H]2C)c1Cl
• InChI: InChI=1S/C24H26Cl2N4O4S/c1-14-22-19(8-9-30(14)24(31)18-6-5-7-20(34-3)21(18)26)23(29(2)28-22)16-10-15(11-17(25)12-16)13-27-35(4,32)33/h5-7,10-12,14,27H,8-9,13H2,1-4H3/t14-/m0/s1
• InChIKey: YJNYCIHIYFUFHN-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 N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide?

The IUPAC name of N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide (CID 168935004) is N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide.

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

The canonical SMILES for N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide is COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(Cl)cc(CNS(C)(=O)=O)c3)[C@@H]2C)c1Cl.

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

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

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

N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide 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 N-[[3-chloro-5-[(7S)-6-(2-chloro-3-methoxybenzoyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 168935004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).