1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid

C24H21FN2O4 — CID 67262212

IUPAC1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ncccc1-c1ccc(C(=O)N2CCCC2C(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C24H21FN2O4/c1-31-22-18(7-4-12-26-22)16-11-10-15(14-19(16)17-6-2-3-8-20(17)25)23(28)27-13-5-9-21(27)24(29)30/h2-4,6-8,10-12,14,21H,5,9,13H2,1H3,(H,29,30)
InChIKeyMKLCHYAKZFDMTB-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.25
Rot. Bonds5

About 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid

1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 67262212) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID67262212
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ncccc1-c1ccc(C(=O)N2CCCC2C(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C24H21FN2O4/c1-31-22-18(7-4-12-26-22)16-11-10-15(14-19(16)17-6-2-3-8-20(17)25)23(28)27-13-5-9-21(27)24(29)30/h2-4,6-8,10-12,14,21H,5,9,13H2,1H3,(H,29,30)
InChIKeyMKLCHYAKZFDMTB-UHFFFAOYSA-N
XLogP4.25
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid (CID 67262212) is 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid is COc1ncccc1-c1ccc(C(=O)N2CCCC2C(=O)O)cc1-c1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MKLCHYAKZFDMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-31-22-18(7-4-12-26-22)16-11-10-15(14-19(16)17-6-2-3-8-20(17)25)23(28)27-13-5-9-21(27)24(29)30/h2-4,6-8,10-12,14,21H,5,9,13H2,1H3,(H,29,30).
What are the key properties of 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid?
1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 420.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-4-(2-methoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67262212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).