(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C17H16FN5O2S — CID 175814076

IUPAC(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCSc1cnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)o1
InChIInChI=1S/C17H16FN5O2S/c1-10-14-20-21-15(16-19-9-13(25-16)26-2)23(14)8-7-22(10)17(24)11-3-5-12(18)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyPCUZWSWHLMUMCM-SNVBAGLBSA-N
MW373.41 g/mol
LogP3.01
Rot. Bonds3

About (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 175814076) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID175814076
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCSc1cnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)o1
InChIInChI=1S/C17H16FN5O2S/c1-10-14-20-21-15(16-19-9-13(25-16)26-2)23(14)8-7-22(10)17(24)11-3-5-12(18)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyPCUZWSWHLMUMCM-SNVBAGLBSA-N
XLogP3.01
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[8-methyl-3-(2-phenyl-1,3-oxazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 53482596
[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 162686540
(4-fluorophenyl)-[(8R)-8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67452275
(4-chlorophenyl)-[8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 122587702
(4-fluorophenyl)-[(8R)-3-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 177370987
(4-fluorophenyl)-[(8S)-8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67451093
[(8R)-3-[3-(azetidin-1-yl)-1,2,4-thiadiazol-5-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 170190975
(4-fluorophenyl)-[(8R)-8-methyl-3-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 155212006
[3-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 67451720
[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 169036001
[(8R)-8-methyl-3-(2-phenyl-1,3-oxazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
CID 71225004
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 86275208

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 175814076) is (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CSc1cnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)o1.
What is the InChIKey of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is PCUZWSWHLMUMCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-10-14-20-21-15(16-19-9-13(25-16)26-2)23(14)8-7-22(10)17(24)11-3-5-12(18)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 373.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 175814076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).