4-[(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]morpholin-3-one

C21H21FN6O3S — CID 166082157

IUPAC4-[(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]morpholin-3-one
SMILESCc1nsc(-c2nc(N3CCOCC3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H21FN6O3S/c1-12-17-18(27-9-10-31-11-16(27)29)24-19(20-23-13(2)25-32-20)28(17)8-7-26(12)21(30)14-3-5-15(22)6-4-14/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyPIZSTXJDFMRNMX-GFCCVEGCSA-N
MW456.50 g/mol
LogP2.43
Rot. Bonds3

About 4-[(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]morpholin-3-one

4-[(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]morpholin-3-one (PubChem CID 166082157) has the molecular formula C21H21FN6O3S and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-[(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]morpholin-3-one.

Molecular Properties

Compound Name4-[(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]morpholin-3-one
PubChem CID166082157
Molecular FormulaC21H21FN6O3S
Molecular Weight456.50 g/mol
Exact Mass456.14
IUPAC Name4-[(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]morpholin-3-one
SMILESCc1nsc(-c2nc(N3CCOCC3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H21FN6O3S/c1-12-17-18(27-9-10-31-11-16(27)29)24-19(20-23-13(2)25-32-20)28(17)8-7-26(12)21(30)14-3-5-15(22)6-4-14/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyPIZSTXJDFMRNMX-GFCCVEGCSA-N
XLogP2.43
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(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]morpholin-3-one with MolForge

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Related Compounds

3-[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]-1,3-oxazolidin-4-one
CID 166082192
(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
(3S)-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-hydroxypyrrolidin-2-one
CID 166082282
(3R)-3-fluoro-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]pyrrolidin-2-one
CID 166082160
(4S)-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]-4-methoxypiperidin-2-one
CID 166082369
(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(2-sulfanylidenepyrrolidin-1-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 171760110
(4R)-4-(dimethylamino)-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]pyrrolidin-2-one
CID 166082383
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
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-methoxy-2H-pyrrol-5-one
CID 166082318
[(8R)-1-(2,6-difluorophenyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 166082261
(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-[7-(4-fluorobenzoyl)-3-[3-[(1S)-1-hydroxyethyl]-1,2,4-thiadiazol-5-yl]-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
CID 166082380

Frequently Asked Questions

What is the IUPAC name of 4-[(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]morpholin-3-one?
The IUPAC name of 4-[(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]morpholin-3-one (CID 166082157) is 4-[(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]morpholin-3-one.
What is the SMILES notation for 4-[(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]morpholin-3-one?
The canonical SMILES for 4-[(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]morpholin-3-one is Cc1nsc(-c2nc(N3CCOCC3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of 4-[(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]morpholin-3-one?
The InChIKey is PIZSTXJDFMRNMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21FN6O3S/c1-12-17-18(27-9-10-31-11-16(27)29)24-19(20-23-13(2)25-32-20)28(17)8-7-26(12)21(30)14-3-5-15(22)6-4-14/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(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]morpholin-3-one?
4-[(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]morpholin-3-one has a molecular weight of 456.50 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(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]morpholin-3-one is sourced from PubChem (CID 166082157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).