1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

C17H13F3N2OS — CID 1472570

IUPAC1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2OS/c1-11-16(22-8-3-2-7-15(22)21-11)14(23)10-24-13-6-4-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3
InChIKeyBTSFMRPMGSPYFT-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.64
Rot. Bonds4

About 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (PubChem CID 1472570) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
PubChem CID1472570
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2OS/c1-11-16(22-8-3-2-7-15(22)21-11)14(23)10-24-13-6-4-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3
InChIKeyBTSFMRPMGSPYFT-UHFFFAOYSA-N
XLogP4.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The IUPAC name of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (CID 1472570) is 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.
What is the SMILES notation for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The canonical SMILES for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is Cc1nc2ccccn2c1C(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The InChIKey is BTSFMRPMGSPYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-11-16(22-8-3-2-7-15(22)21-11)14(23)10-24-13-6-4-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone has a molecular weight of 350.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is sourced from PubChem (CID 1472570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).