1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H30N4O3S — CID 53066660

About 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066660) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 53066660
• Molecular Formula: C25H30N4O3S
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.20
• IUPAC Name: 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)c1
• InChI: InChI=1S/C25H30N4O3S/c1-17(2)20-8-10-21(11-9-20)33(31,32)29-13-12-23-22(16-29)24(27-28(23)4)25(30)26-15-19-7-5-6-18(3)14-19/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,26,30)
• InChIKey: DIBLHFQQJAQTKU-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066660) is 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)c1.

What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is DIBLHFQQJAQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-17(2)20-8-10-21(11-9-20)33(31,32)29-13-12-23-22(16-29)24(27-28(23)4)25(30)26-15-19-7-5-6-18(3)14-19/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,26,30).

What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).