6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C16H17N3O3 — CID 5310449

IUPAC6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C16H17N3O3/c20-15(12-5-1-2-6-13(12)16(21)22)17-9-11-10-19-8-4-3-7-14(19)18-11/h1-4,7-8,10,12-13H,5-6,9H2,(H,17,20)(H,21,22)
InChIKeyTXYHTOSQRPCDIG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.62
Rot. Bonds4

About 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 5310449) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID5310449
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C16H17N3O3/c20-15(12-5-1-2-6-13(12)16(21)22)17-9-11-10-19-8-4-3-7-14(19)18-11/h1-4,7-8,10,12-13H,5-6,9H2,(H,17,20)(H,21,22)
InChIKeyTXYHTOSQRPCDIG-UHFFFAOYSA-N
XLogP1.62
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-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 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 5310449) is 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)NCc1cn2ccccc2n1.
What is the InChIKey of 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is TXYHTOSQRPCDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(12-5-1-2-6-13(12)16(21)22)17-9-11-10-19-8-4-3-7-14(19)18-11/h1-4,7-8,10,12-13H,5-6,9H2,(H,17,20)(H,21,22).
What are the key properties of 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 5310449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).