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

C20H22FN3O3 — CID 56714056

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

5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56714056) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56714056
• Molecular Formula: C20H22FN3O3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)CCC1CC1)CC2
• InChI: InChI=1S/C20H22FN3O3/c21-15-6-3-14(4-7-15)11-24-17-9-10-23(18(25)8-5-13-1-2-13)12-16(17)19(22-24)20(26)27/h3-4,6-7,13H,1-2,5,8-12H2,(H,26,27)
• InChIKey: PZJJABATSZBLFK-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.41
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56714056) is 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)CCC1CC1)CC2.

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

The InChIKey is PZJJABATSZBLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-15-6-3-14(4-7-15)11-24-17-9-10-23(18(25)8-5-13-1-2-13)12-16(17)19(22-24)20(26)27/h3-4,6-7,13H,1-2,5,8-12H2,(H,26,27).

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

5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56714056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).