2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C16H16F3N3O2 — CID 138027459

IUPAC2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOC(C(=O)N1CCc2nc[nH]c2C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-24-14(10-4-2-3-5-11(10)16(17,18)19)15(23)22-7-6-12-13(8-22)21-9-20-12/h2-5,9,14H,6-8H2,1H3,(H,20,21)
InChIKeyNXIKNJQGGAZECG-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.70
Rot. Bonds3

About 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 138027459) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID138027459
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOC(C(=O)N1CCc2nc[nH]c2C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-24-14(10-4-2-3-5-11(10)16(17,18)19)15(23)22-7-6-12-13(8-22)21-9-20-12/h2-5,9,14H,6-8H2,1H3,(H,20,21)
InChIKeyNXIKNJQGGAZECG-UHFFFAOYSA-N
XLogP2.70
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone 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-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 138027459) is 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is COC(C(=O)N1CCc2nc[nH]c2C1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NXIKNJQGGAZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-14(10-4-2-3-5-11(10)16(17,18)19)15(23)22-7-6-12-13(8-22)21-9-20-12/h2-5,9,14H,6-8H2,1H3,(H,20,21).
What are the key properties of 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 339.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 138027459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).