(3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid

C19H18FN3O2 — CID 70750740

IUPAC(3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c20-14-6-4-13(5-7-14)16-11-22(12-17(16)19(24)25)9-15-10-23-8-2-1-3-18(23)21-15/h1-8,10,16-17H,9,11-12H2,(H,24,25)/t16-,17+/m0/s1
InChIKeyYNZQAACVILIDLO-DLBZAZTESA-N
MW339.37 g/mol
LogP2.77
Rot. Bonds4

About (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid

(3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 70750740) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID70750740
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c20-14-6-4-13(5-7-14)16-11-22(12-17(16)19(24)25)9-15-10-23-8-2-1-3-18(23)21-15/h1-8,10,16-17H,9,11-12H2,(H,24,25)/t16-,17+/m0/s1
InChIKeyYNZQAACVILIDLO-DLBZAZTESA-N
XLogP2.77
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-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 (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 70750740) is (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YNZQAACVILIDLO-DLBZAZTESA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-6-4-13(5-7-14)16-11-22(12-17(16)19(24)25)9-15-10-23-8-2-1-3-18(23)21-15/h1-8,10,16-17H,9,11-12H2,(H,24,25)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid?
(3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).