6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H26N4O3S — CID 67375993

About 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67375993) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
• PubChem CID: 67375993
• Molecular Formula: C19H26N4O3S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.17
• IUPAC Name: 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3c([nH]n(C4CCN(C)CC4)c3=O)C2)cc1
• InChI: InChI=1S/C19H26N4O3S/c1-14-3-5-16(6-4-14)27(25,26)22-12-9-17-18(13-22)20-23(19(17)24)15-7-10-21(2)11-8-15/h3-6,15,20H,7-13H2,1-2H3
• InChIKey: DMBJEMXYBFYDLY-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 78.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?

The IUPAC name of 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67375993) is 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?

The canonical SMILES for 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cc1ccc(S(=O)(=O)N2CCc3c([nH]n(C4CCN(C)CC4)c3=O)C2)cc1.

What is the InChIKey of 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?

The InChIKey is DMBJEMXYBFYDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-3-5-16(6-4-14)27(25,26)22-12-9-17-18(13-22)20-23(19(17)24)15-7-10-21(2)11-8-15/h3-6,15,20H,7-13H2,1-2H3.

What are the key properties of 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?

6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 390.51 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67375993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).