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

C21H25FN4O3 — CID 130214591

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

2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid (PubChem CID 130214591) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid
• PubChem CID: 130214591
• Molecular Formula: C21H25FN4O3
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.19
• IUPAC Name: 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid
• SMILES: Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)C1CCN(CC(=O)O)C1)C2
• InChI: InChI=1S/C21H25FN4O3/c1-14-18-7-9-25(21(29)16-6-8-24(11-16)13-20(27)28)12-19(18)26(23-14)10-15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3,(H,27,28)
• InChIKey: RHMXYSIUQTUUCY-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid (CID 130214591) is 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid.

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

The canonical SMILES for 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)C1CCN(CC(=O)O)C1)C2.

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

The InChIKey is RHMXYSIUQTUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14-18-7-9-25(21(29)16-6-8-24(11-16)13-20(27)28)12-19(18)26(23-14)10-15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3,(H,27,28).

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

2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 400.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 130214591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).