2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide

C27H32N6O3 — CID 54755987

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide (PubChem CID 54755987) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
• PubChem CID: 54755987
• Molecular Formula: C27H32N6O3
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.25
• IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
• SMILES: COc1ccc(N2CCc3c(NC(=O)CN4CCN(c5cccc(C)c5C)CC4)n[nH]c3C2=O)cc1
• InChI: InChI=1S/C27H32N6O3/c1-18-5-4-6-23(19(18)2)32-15-13-31(14-16-32)17-24(34)28-26-22-11-12-33(27(35)25(22)29-30-26)20-7-9-21(36-3)10-8-20/h4-10H,11-17H2,1-3H3,(H2,28,29,30,34)
• InChIKey: QBHMKCIQPBXXOF-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 93.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?

The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide (CID 54755987) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide.

What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?

The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide is COc1ccc(N2CCc3c(NC(=O)CN4CCN(c5cccc(C)c5C)CC4)n[nH]c3C2=O)cc1.

What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?

The InChIKey is QBHMKCIQPBXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-18-5-4-6-23(19(18)2)32-15-13-31(14-16-32)17-24(34)28-26-22-11-12-33(27(35)25(22)29-30-26)20-7-9-21(36-3)10-8-20/h4-10H,11-17H2,1-3H3,(H2,28,29,30,34).

What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 54755987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).