(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

C16H17N3O3 — CID 120978575

IUPAC(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1C1CC1
InChIInChI=1S/C16H17N3O3/c20-15(13-9-18-6-2-1-3-14(18)17-13)19-7-11(10-4-5-10)12(8-19)16(21)22/h1-3,6,9-12H,4-5,7-8H2,(H,21,22)/t11-,12+/m1/s1
InChIKeyXNEGONIYFFALNQ-NEPJUHHUSA-N
MW299.33 g/mol
LogP1.52
Rot. Bonds3

About (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120978575) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120978575
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1C1CC1
InChIInChI=1S/C16H17N3O3/c20-15(13-9-18-6-2-1-3-14(18)17-13)19-7-11(10-4-5-10)12(8-19)16(21)22/h1-3,6,9-12H,4-5,7-8H2,(H,21,22)/t11-,12+/m1/s1
InChIKeyXNEGONIYFFALNQ-NEPJUHHUSA-N
XLogP1.52
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)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 (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 120978575) is (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XNEGONIYFFALNQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(13-9-18-6-2-1-3-14(18)17-13)19-7-11(10-4-5-10)12(8-19)16(21)22/h1-3,6,9-12H,4-5,7-8H2,(H,21,22)/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).