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

C21H23N5O3 — CID 56721946

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

1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56721946) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56721946
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: CN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)c1cnc3ccccc3c1)C2
• InChI: InChI=1S/C21H23N5O3/c1-24(2)9-10-26-18-7-8-25(13-16(18)19(23-26)21(28)29)20(27)15-11-14-5-3-4-6-17(14)22-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,28,29)
• InChIKey: RNIDYGHNLRFAAL-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56721946) is 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)c1cnc3ccccc3c1)C2.

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

The InChIKey is RNIDYGHNLRFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-24(2)9-10-26-18-7-8-25(13-16(18)19(23-26)21(28)29)20(27)15-11-14-5-3-4-6-17(14)22-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,28,29).

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

1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 393.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-5-(quinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56721946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).