(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone

C18H17FN6OS — CID 177370989

IUPAC(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone
SMILESCc1nsc(-c2nnc3n2C2(CC2)CN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C18H17FN6OS/c1-10-14-21-22-15(16-20-11(2)23-27-16)25(14)18(7-8-18)9-24(10)17(26)12-3-5-13(19)6-4-12/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyAUYCVABWRAIGFL-SNVBAGLBSA-N
MW384.44 g/mol
LogP2.95
Rot. Bonds2

About (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone

(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone (PubChem CID 177370989) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone
PubChem CID177370989
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC Name(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone
SMILESCc1nsc(-c2nnc3n2C2(CC2)CN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C18H17FN6OS/c1-10-14-21-22-15(16-20-11(2)23-27-16)25(14)18(7-8-18)9-24(10)17(26)12-3-5-13(19)6-4-12/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyAUYCVABWRAIGFL-SNVBAGLBSA-N
XLogP2.95
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
[(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
[(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)-[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 166082162
1-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3,3-dimethylpiperidin-2-one
CID 166082358
[8,8-dimethyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 122187069
(4-fluorophenyl)-[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 174205288
[(8R)-8-methyl-3-[3-(trideuteriomethyl)-1,2,4-thiadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,5,6-tetradeuterio-4-fluorophenyl)methanone
CID 162686564
(4-fluorophenyl)-[8-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 162353814
(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
1H-indol-5-yl-[(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]methanone
CID 166067706
[(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-thiophen-2-ylphenyl)methanone
CID 71549769

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone (CID 177370989) is (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone is Cc1nsc(-c2nnc3n2C2(CC2)CN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone?
The InChIKey is AUYCVABWRAIGFL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17FN6OS/c1-10-14-21-22-15(16-20-11(2)23-27-16)25(14)18(7-8-18)9-24(10)17(26)12-3-5-13(19)6-4-12/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone?
(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone has a molecular weight of 384.44 g/mol, XLogP of 2.95, 2 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-(3-methyl-1,2,4-thiadiazol-5-yl)spiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,1'-cyclopropane]-7-yl]methanone is sourced from PubChem (CID 177370989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).