3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride

C14H16ClN3O2 — CID 86617457

IUPAC3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
SMILESO=C(Cl)c1nc(CCN2CCOCC2)n2ccccc12
InChIInChI=1S/C14H16ClN3O2/c15-14(19)13-11-3-1-2-5-18(11)12(16-13)4-6-17-7-9-20-10-8-17/h1-3,5H,4,6-10H2
InChIKeyPLEMVUANYNAOBC-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.59
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride

3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride (PubChem CID 86617457) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
PubChem CID86617457
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
SMILESO=C(Cl)c1nc(CCN2CCOCC2)n2ccccc12
InChIInChI=1S/C14H16ClN3O2/c15-14(19)13-11-3-1-2-5-18(11)12(16-13)4-6-17-7-9-20-10-8-17/h1-3,5H,4,6-10H2
InChIKeyPLEMVUANYNAOBC-UHFFFAOYSA-N
XLogP1.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride 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 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride?
The IUPAC name of 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride (CID 86617457) is 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride is O=C(Cl)c1nc(CCN2CCOCC2)n2ccccc12.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride?
The InChIKey is PLEMVUANYNAOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-14(19)13-11-3-1-2-5-18(11)12(16-13)4-6-17-7-9-20-10-8-17/h1-3,5H,4,6-10H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride?
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride has a molecular weight of 293.75 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride is sourced from PubChem (CID 86617457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).