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

C29H34N6O4 — CID 22318550

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

6-[1-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 22318550) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is 6-[1-[2-[[acetyl(methyl)amino]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-[[acetyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 22318550
• Molecular Formula: C29H34N6O4
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.26
• IUPAC Name: 6-[1-[2-[[acetyl(methyl)amino]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(C)=O)CC2)CC3)cc1
• InChI: InChI=1S/C29H34N6O4/c1-19(36)32(2)18-20-6-4-5-7-25(20)33-15-12-21(13-16-33)34-17-14-24-26(28(30)37)31-35(27(24)29(34)38)22-8-10-23(39-3)11-9-22/h4-11,21H,12-18H2,1-3H3,(H2,30,37)
• InChIKey: UVYVJQFOXZDFLB-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 114.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[[acetyl(methyl)amino]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-[[acetyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 22318550) is 6-[1-[2-[[acetyl(methyl)amino]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-[[acetyl(methyl)amino]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-[[acetyl(methyl)amino]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(C)=O)CC2)CC3)cc1.

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

The InChIKey is UVYVJQFOXZDFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-19(36)32(2)18-20-6-4-5-7-25(20)33-15-12-21(13-16-33)34-17-14-24-26(28(30)37)31-35(27(24)29(34)38)22-8-10-23(39-3)11-9-22/h4-11,21H,12-18H2,1-3H3,(H2,30,37).

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

6-[1-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 22318550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).