1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C23H24N4O4 — CID 56715066

About 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56715066) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56715066
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cccc(C)n2)C3)cc1
• InChI: InChI=1S/C23H24N4O4/c1-15-4-3-5-19(24-15)22(28)26-12-11-20-18(14-26)21(23(29)30)25-27(20)13-10-16-6-8-17(31-2)9-7-16/h3-9H,10-14H2,1-2H3,(H,29,30)
• InChIKey: MWWVARGKLGEHHC-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 97.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56715066) is 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cccc(C)n2)C3)cc1.

What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The InChIKey is MWWVARGKLGEHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-4-3-5-19(24-15)22(28)26-12-11-20-18(14-26)21(23(29)30)25-27(20)13-10-16-6-8-17(31-2)9-7-16/h3-9H,10-14H2,1-2H3,(H,29,30).

What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56715066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).