methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane

C17H13F3N6O2S — CID 164518300

IUPACmethyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane
SMILESCc1nc2cc(-c3noc(C(F)(F)F)n3)ccn2c1N=S(C)(=O)c1cccnc1
InChIInChI=1S/C17H13F3N6O2S/c1-10-15(25-29(2,27)12-4-3-6-21-9-12)26-7-5-11(8-13(26)22-10)14-23-16(28-24-14)17(18,19)20/h3-9H,1-2H3
InChIKeyHJKLWVGXJRHUHO-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.89
Rot. Bonds3

About methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane

methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane (PubChem CID 164518300) has the molecular formula C17H13F3N6O2S and a molecular weight of 422.39 g/mol. Its IUPAC name is methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane.

Molecular Properties

Compound Namemethyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane
PubChem CID164518300
Molecular FormulaC17H13F3N6O2S
Molecular Weight422.39 g/mol
Exact Mass422.08
IUPAC Namemethyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane
SMILESCc1nc2cc(-c3noc(C(F)(F)F)n3)ccn2c1N=S(C)(=O)c1cccnc1
InChIInChI=1S/C17H13F3N6O2S/c1-10-15(25-29(2,27)12-4-3-6-21-9-12)26-7-5-11(8-13(26)22-10)14-23-16(28-24-14)17(18,19)20/h3-9H,1-2H3
InChIKeyHJKLWVGXJRHUHO-UHFFFAOYSA-N
XLogP3.89
TPSA98.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane
CID 164518346
methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane
CID 164518322
tert-butyl-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-methyl-oxo-λ6-sulfane
CID 164518444
tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
CID 164518360
(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
CID 164518424
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704
methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imino-[4-(trifluoromethyl)phenyl]-λ6-sulfane
CID 155279202
3-[6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461397
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532699
N-[(3-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370099
N-[(4-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532736

Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane?
The IUPAC name of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane (CID 164518300) is methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane.
What is the SMILES notation for methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane?
The canonical SMILES for methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane is Cc1nc2cc(-c3noc(C(F)(F)F)n3)ccn2c1N=S(C)(=O)c1cccnc1.
What is the InChIKey of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane?
The InChIKey is HJKLWVGXJRHUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2S/c1-10-15(25-29(2,27)12-4-3-6-21-9-12)26-7-5-11(8-13(26)22-10)14-23-16(28-24-14)17(18,19)20/h3-9H,1-2H3.
What are the key properties of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane?
methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane has a molecular weight of 422.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane is sourced from PubChem (CID 164518300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).