6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C17H20FN3O2 — CID 46080905

IUPAC6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cn2c(n1)CCC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H20FN3O2/c1-23-9-8-19-17(22)15-11-21-10-13(4-7-16(21)20-15)12-2-5-14(18)6-3-12/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,22)
InChIKeyDNVDSYIRUOKTKW-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.13
Rot. Bonds5

About 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46080905) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46080905
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cn2c(n1)CCC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H20FN3O2/c1-23-9-8-19-17(22)15-11-21-10-13(4-7-16(21)20-15)12-2-5-14(18)6-3-12/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,22)
InChIKeyDNVDSYIRUOKTKW-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 46080905) is 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COCCNC(=O)c1cn2c(n1)CCC(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DNVDSYIRUOKTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-9-8-19-17(22)15-11-21-10-13(4-7-16(21)20-15)12-2-5-14(18)6-3-12/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,22).
What are the key properties of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46080905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).