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

C28H34N6O3 — CID 23648151

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

6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23648151) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 23648151
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: 6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)C)CC2)CC3)cc1
• InChI: InChI=1S/C28H34N6O3/c1-31(2)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(37-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35)
• InChIKey: QLIJAYGAJCPYAJ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 96.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23648151) is 6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

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

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

The InChIKey is QLIJAYGAJCPYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-31(2)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(37-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35).

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

6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23648151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).