1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone

C30H21F3N2O2 — CID 162539266

IUPAC1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(C(C)=O)cc3)c2-c2ncc3ccccn23)cc1
InChIInChI=1S/C30H21F3N2O2/c1-18(36)20-6-10-22(11-7-20)26-15-24(30(31,32)33)16-27(23-12-8-21(9-13-23)19(2)37)28(26)29-34-17-25-5-3-4-14-35(25)29/h3-17H,1-2H3
InChIKeyZKHWCNNYSBCXLQ-UHFFFAOYSA-N
MW498.50 g/mol
LogP7.76
Rot. Bonds5

About 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone

1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone (PubChem CID 162539266) has the molecular formula C30H21F3N2O2 and a molecular weight of 498.50 g/mol. Its IUPAC name is 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone
PubChem CID162539266
Molecular FormulaC30H21F3N2O2
Molecular Weight498.50 g/mol
Exact Mass498.16
IUPAC Name1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(C(C)=O)cc3)c2-c2ncc3ccccn23)cc1
InChIInChI=1S/C30H21F3N2O2/c1-18(36)20-6-10-22(11-7-20)26-15-24(30(31,32)33)16-27(23-12-8-21(9-13-23)19(2)37)28(26)29-34-17-25-5-3-4-14-35(25)29/h3-17H,1-2H3
InChIKeyZKHWCNNYSBCXLQ-UHFFFAOYSA-N
XLogP7.76
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.50
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone (CID 162539266) is 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(C(C)=O)cc3)c2-c2ncc3ccccn23)cc1.
What is the InChIKey of 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone?
The InChIKey is ZKHWCNNYSBCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F3N2O2/c1-18(36)20-6-10-22(11-7-20)26-15-24(30(31,32)33)16-27(23-12-8-21(9-13-23)19(2)37)28(26)29-34-17-25-5-3-4-14-35(25)29/h3-17H,1-2H3.
What are the key properties of 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone?
1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone has a molecular weight of 498.50 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 162539266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).