1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid

C18H20N4O3 — CID 121365473

About 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid

1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid (PubChem CID 121365473) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid
• PubChem CID: 121365473
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid
• SMILES: CC(=O)N1CCc2c(c(N3CCc4ccc(C(=O)O)cc43)nn2C)C1
• InChI: InChI=1S/C18H20N4O3/c1-11(23)21-7-6-15-14(10-21)17(19-20(15)2)22-8-5-12-3-4-13(18(24)25)9-16(12)22/h3-4,9H,5-8,10H2,1-2H3,(H,24,25)
• InChIKey: QYHLMVDNCCIPLX-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 78.67 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	340.38
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid?

The IUPAC name of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid (CID 121365473) is 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid.

What is the SMILES notation for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid?

The canonical SMILES for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid is CC(=O)N1CCc2c(c(N3CCc4ccc(C(=O)O)cc43)nn2C)C1.

What is the InChIKey of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid?

The InChIKey is QYHLMVDNCCIPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(23)21-7-6-15-14(10-21)17(19-20(15)2)22-8-5-12-3-4-13(18(24)25)9-16(12)22/h3-4,9H,5-8,10H2,1-2H3,(H,24,25).

What are the key properties of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid?

1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 121365473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).