1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone

C16H10ClF3N2OS — CID 2798874

IUPAC1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)C(F)(F)F
InChIInChI=1S/C16H10ClF3N2OS/c17-11-6-4-10(5-7-11)9-24-15-21-13(14(23)16(18,19)20)12-3-1-2-8-22(12)15/h1-8H,9H2
InChIKeyVZBASRLJMYCERQ-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.03
Rot. Bonds4

About 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone

1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 2798874) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
PubChem CID2798874
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)C(F)(F)F
InChIInChI=1S/C16H10ClF3N2OS/c17-11-6-4-10(5-7-11)9-24-15-21-13(14(23)16(18,19)20)12-3-1-2-8-22(12)15/h1-8H,9H2
InChIKeyVZBASRLJMYCERQ-UHFFFAOYSA-N
XLogP5.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

(4-chlorophenyl)(2-(1-isopropylpiperidin-4-ylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 10156476
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
3-(4-Chlorobenzoyl)imidazo[1,2-a]pyridine
CID 1484079
1-(4-chlorophenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]-1-ethanone
CID 3755487
[6-Ethyl-5-methyl-7-(methylthio)imidazo[1,2-a]pyrimidin-2-yl]phenylmethanone
CID 10041142
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylthio)-1H-imidazol-5-yl)methanone
CID 10177656
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 11551796
(4-chlorophenyl)(1-methyl-2-(4-(piperidin-1-yl)butylthio)-1H-imidazol-5-yl)methanone
CID 11625318
(5-Methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301035
(7-Methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301036
(5-Methyl-7-methylsulfanyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301162
(5-Ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301164

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (CID 2798874) is 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is O=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is VZBASRLJMYCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-11-6-4-10(5-7-11)9-24-15-21-13(14(23)16(18,19)20)12-3-1-2-8-22(12)15/h1-8H,9H2.
What are the key properties of 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 370.78 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methylsulfanyl]imidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 2798874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).