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

C20H19FN4O3 — CID 56708833

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

1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56708833) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56708833
• Molecular Formula: C20H19FN4O3
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.14
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: Cn1cccc1C(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccc(F)cc2)C1
• InChI: InChI=1S/C20H19FN4O3/c1-23-9-2-3-17(23)19(26)24-10-8-16-15(12-24)18(20(27)28)22-25(16)11-13-4-6-14(21)7-5-13/h2-7,9H,8,10-12H2,1H3,(H,27,28)
• InChIKey: UTPRDYMYBXXMPS-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 80.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56708833) is 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cn1cccc1C(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccc(F)cc2)C1.

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

The InChIKey is UTPRDYMYBXXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-23-9-2-3-17(23)19(26)24-10-8-16-15(12-24)18(20(27)28)22-25(16)11-13-4-6-14(21)7-5-13/h2-7,9H,8,10-12H2,1H3,(H,27,28).

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

1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 382.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56708833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).