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

C18H18N4O3 — CID 56710526

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

1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56710526) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56710526
• Molecular Formula: C18H18N4O3
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.14
• IUPAC Name: 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: Cn1nc(C(=O)O)c2c1CCN(C(=O)c1cc3ccccc3n1C)C2
• InChI: InChI=1S/C18H18N4O3/c1-20-13-6-4-3-5-11(13)9-15(20)17(23)22-8-7-14-12(10-22)16(18(24)25)19-21(14)2/h3-6,9H,7-8,10H2,1-2H3,(H,24,25)
• InChIKey: MYILTDLSNKUNSR-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 80.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56710526) is 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCN(C(=O)c1cc3ccccc3n1C)C2.

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

The InChIKey is MYILTDLSNKUNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-20-13-6-4-3-5-11(13)9-15(20)17(23)22-8-7-14-12(10-22)16(18(24)25)19-21(14)2/h3-6,9H,7-8,10H2,1-2H3,(H,24,25).

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

1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56710526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).