N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H25ClN4O3S — CID 53066637

About N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066637) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 53066637
• Molecular Formula: C23H25ClN4O3S
• Molecular Weight: 473.00 g/mol
• Exact Mass: 472.13
• IUPAC Name: N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc(Cl)cc4)nn3C)C2)cc1C
• InChI: InChI=1S/C23H25ClN4O3S/c1-15-4-9-19(12-16(15)2)32(30,31)28-11-10-21-20(14-28)22(26-27(21)3)23(29)25-13-17-5-7-18(24)8-6-17/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,29)
• InChIKey: UDHQWHLRCRFSAU-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.00
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066637) is N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc(Cl)cc4)nn3C)C2)cc1C.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is UDHQWHLRCRFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-15-4-9-19(12-16(15)2)32(30,31)28-11-10-21-20(14-28)22(26-27(21)3)23(29)25-13-17-5-7-18(24)8-6-17/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,29).

What are the key properties of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).