2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C18H23N7O2S — CID 55885951

IUPAC2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCSc1nc2nc(C)c(CC(=O)N3CCC(c4nc(C)no4)CC3)c(C)n2n1
InChIInChI=1S/C18H23N7O2S/c1-10-14(11(2)25-17(19-10)21-18(22-25)28-4)9-15(26)24-7-5-13(6-8-24)16-20-12(3)23-27-16/h13H,5-9H2,1-4H3
InChIKeyPMQSAAVCDJISIC-UHFFFAOYSA-N
MW401.50 g/mol
LogP2.10
Rot. Bonds4

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 55885951) has the molecular formula C18H23N7O2S and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID55885951
Molecular FormulaC18H23N7O2S
Molecular Weight401.50 g/mol
Exact Mass401.16
IUPAC Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCSc1nc2nc(C)c(CC(=O)N3CCC(c4nc(C)no4)CC3)c(C)n2n1
InChIInChI=1S/C18H23N7O2S/c1-10-14(11(2)25-17(19-10)21-18(22-25)28-4)9-15(26)24-7-5-13(6-8-24)16-20-12(3)23-27-16/h13H,5-9H2,1-4H3
InChIKeyPMQSAAVCDJISIC-UHFFFAOYSA-N
XLogP2.10
TPSA102.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(azetidin-1-yl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 134015615
N-[1-[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 32512779
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92823574
ethyl 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 30764762
1-(2,3-dihydroindol-1-yl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 17411354
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818959
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 55589089
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 55925202
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 41367930
1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 17392294
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 50750115

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 55885951) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is CSc1nc2nc(C)c(CC(=O)N3CCC(c4nc(C)no4)CC3)c(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is PMQSAAVCDJISIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2S/c1-10-14(11(2)25-17(19-10)21-18(22-25)28-4)9-15(26)24-7-5-13(6-8-24)16-20-12(3)23-27-16/h13H,5-9H2,1-4H3.
What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 401.50 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55885951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).