8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C13H14F3N3O3 — CID 126469737

IUPAC8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(C(F)(F)F)nc2c(OC)cccn12
InChIInChI=1S/C13H14F3N3O3/c1-21-7-5-17-12(20)9-10(13(14,15)16)18-11-8(22-2)4-3-6-19(9)11/h3-4,6H,5,7H2,1-2H3,(H,17,20)
InChIKeyGOSVHMNMROKSCX-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.74
Rot. Bonds5

About 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126469737) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126469737
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(C(F)(F)F)nc2c(OC)cccn12
InChIInChI=1S/C13H14F3N3O3/c1-21-7-5-17-12(20)9-10(13(14,15)16)18-11-8(22-2)4-3-6-19(9)11/h3-4,6H,5,7H2,1-2H3,(H,17,20)
InChIKeyGOSVHMNMROKSCX-UHFFFAOYSA-N
XLogP1.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126469737) is 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is COCCNC(=O)c1c(C(F)(F)F)nc2c(OC)cccn12.
What is the InChIKey of 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GOSVHMNMROKSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-21-7-5-17-12(20)9-10(13(14,15)16)18-11-8(22-2)4-3-6-19(9)11/h3-4,6H,5,7H2,1-2H3,(H,17,20).
What are the key properties of 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-methoxyethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126469737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).