2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate

C16H20N4O3 — CID 163368021

IUPAC2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate
SMILESCCC(C)(NC(=O)OC(=O)N1CCC1)c1cnc2ccccn12
InChIInChI=1S/C16H20N4O3/c1-3-16(2,12-11-17-13-7-4-5-10-20(12)13)18-14(21)23-15(22)19-8-6-9-19/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H,18,21)
InChIKeyQBXKIWHDGLSMSQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.51
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate

2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate (PubChem CID 163368021) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate
PubChem CID163368021
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate
SMILESCCC(C)(NC(=O)OC(=O)N1CCC1)c1cnc2ccccn12
InChIInChI=1S/C16H20N4O3/c1-3-16(2,12-11-17-13-7-4-5-10-20(12)13)18-14(21)23-15(22)19-8-6-9-19/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H,18,21)
InChIKeyQBXKIWHDGLSMSQ-UHFFFAOYSA-N
XLogP2.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate 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 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate?
The IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate (CID 163368021) is 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate is CCC(C)(NC(=O)OC(=O)N1CCC1)c1cnc2ccccn12.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate?
The InChIKey is QBXKIWHDGLSMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-16(2,12-11-17-13-7-4-5-10-20(12)13)18-14(21)23-15(22)19-8-6-9-19/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H,18,21).
What are the key properties of 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate?
2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate is sourced from PubChem (CID 163368021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).