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

C21H23N5O3 — CID 56702476

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

5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56702476) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56702476
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: Cc1ncc(C(=O)N2CCc3c(c(C(=O)O)nn3CCCc3ccccc3)C2)[nH]1
• InChI: InChI=1S/C21H23N5O3/c1-14-22-12-17(23-14)20(27)25-11-9-18-16(13-25)19(21(28)29)24-26(18)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,22,23)(H,28,29)
• InChIKey: PMLZRYZAVYXKSK-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 104.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56702476) is 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1ncc(C(=O)N2CCc3c(c(C(=O)O)nn3CCCc3ccccc3)C2)[nH]1.

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

The InChIKey is PMLZRYZAVYXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-22-12-17(23-14)20(27)25-11-9-18-16(13-25)19(21(28)29)24-26(18)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,22,23)(H,28,29).

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

5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 393.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56702476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).