1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C28H34N6O5S — CID 10196628

About 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 10196628) has the molecular formula C28H34N6O5S and a molecular weight of 566.68 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 10196628
• Molecular Formula: C28H34N6O5S
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.23
• IUPAC Name: 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)S(C)(=O)=O)CC2)CC3)cc1
• InChI: InChI=1S/C28H34N6O5S/c1-31(40(3,37)38)18-19-6-4-5-7-24(19)32-15-12-20(13-16-32)33-17-14-23-25(27(29)35)30-34(26(23)28(33)36)21-8-10-22(39-2)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35)
• InChIKey: RYZNSPLDPMGHBQ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 131.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 10196628) is 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)S(C)(=O)=O)CC2)CC3)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is RYZNSPLDPMGHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O5S/c1-31(40(3,37)38)18-19-6-4-5-7-24(19)32-15-12-20(13-16-32)33-17-14-23-25(27(29)35)30-34(26(23)28(33)36)21-8-10-22(39-2)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35).

What are the key properties of 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 566.68 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-6-[1-[2-[[methyl(methylsulfonyl)amino]methyl]phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 10196628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).