8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide

C16H13ClFN3O2 — CID 58515971

IUPAC8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCON(C)C(=O)c1cc(Cl)c2nccn2c1-c1cccc(F)c1
InChIInChI=1S/C16H13ClFN3O2/c1-20(23-2)16(22)12-9-13(17)15-19-6-7-21(15)14(12)10-4-3-5-11(18)8-10/h3-9H,1-2H3
InChIKeyAEPFQOAFTGKZMA-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.43
Rot. Bonds3

About 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide

8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 58515971) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID58515971
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCON(C)C(=O)c1cc(Cl)c2nccn2c1-c1cccc(F)c1
InChIInChI=1S/C16H13ClFN3O2/c1-20(23-2)16(22)12-9-13(17)15-19-6-7-21(15)14(12)10-4-3-5-11(18)8-10/h3-9H,1-2H3
InChIKeyAEPFQOAFTGKZMA-UHFFFAOYSA-N
XLogP3.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 58515971) is 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide is CON(C)C(=O)c1cc(Cl)c2nccn2c1-c1cccc(F)c1.
What is the InChIKey of 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AEPFQOAFTGKZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-20(23-2)16(22)12-9-13(17)15-19-6-7-21(15)14(12)10-4-3-5-11(18)8-10/h3-9H,1-2H3.
What are the key properties of 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 58515971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).