1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

C18H17N3O2S — CID 160837644

IUPAC1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCOc1cccc(Sc2cccc3nc(CC(=O)C4CC4)nn23)c1
InChIInChI=1S/C18H17N3O2S/c1-23-13-4-2-5-14(10-13)24-18-7-3-6-17-19-16(20-21(17)18)11-15(22)12-8-9-12/h2-7,10,12H,8-9,11H2,1H3
InChIKeySHPOTNGRMOYNIM-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.41
Rot. Bonds6

About 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (PubChem CID 160837644) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
PubChem CID160837644
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCOc1cccc(Sc2cccc3nc(CC(=O)C4CC4)nn23)c1
InChIInChI=1S/C18H17N3O2S/c1-23-13-4-2-5-14(10-13)24-18-7-3-6-17-19-16(20-21(17)18)11-15(22)12-8-9-12/h2-7,10,12H,8-9,11H2,1H3
InChIKeySHPOTNGRMOYNIM-UHFFFAOYSA-N
XLogP3.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone with MolForge

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Related Compounds

2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
CID 162237022
1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 159400279
1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 158980152
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 39044812
1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 58374719
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone
CID 159975228
N-[5-(3-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589691
4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 58374584
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (CID 160837644) is 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is COc1cccc(Sc2cccc3nc(CC(=O)C4CC4)nn23)c1.
What is the InChIKey of 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The InChIKey is SHPOTNGRMOYNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-13-4-2-5-14(10-13)24-18-7-3-6-17-19-16(20-21(17)18)11-15(22)12-8-9-12/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone has a molecular weight of 339.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is sourced from PubChem (CID 160837644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).