5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine

C15H12F3N3S — CID 75402786

IUPAC5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3ccc(C(F)(F)F)cn3)cn12
InChIInChI=1S/C15H12F3N3S/c1-10-3-2-4-13-20-12(8-21(10)13)9-22-14-6-5-11(7-19-14)15(16,17)18/h2-8H,9H2,1H3
InChIKeyWGMMQUDLGGVMDL-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.35
Rot. Bonds3

About 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine

5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 75402786) has the molecular formula C15H12F3N3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID75402786
Molecular FormulaC15H12F3N3S
Molecular Weight323.34 g/mol
Exact Mass323.07
IUPAC Name5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3ccc(C(F)(F)F)cn3)cn12
InChIInChI=1S/C15H12F3N3S/c1-10-3-2-4-13-20-12(8-21(10)13)9-22-14-6-5-11(7-19-14)15(16,17)18/h2-8H,9H2,1H3
InChIKeyWGMMQUDLGGVMDL-UHFFFAOYSA-N
XLogP4.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine (CID 75402786) is 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cccc2nc(CSc3ccc(C(F)(F)F)cn3)cn12.
What is the InChIKey of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is WGMMQUDLGGVMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S/c1-10-3-2-4-13-20-12(8-21(10)13)9-22-14-6-5-11(7-19-14)15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine?
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 323.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 75402786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).