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

C24H27FN6O2S — CID 166082358

IUPAC1-[(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
SMILESCc1nsc(-c2nc(N3CCCC(C)(C)C3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C24H27FN6O2S/c1-14-18-19(31-11-5-10-24(3,4)23(31)33)27-20(21-26-15(2)28-34-21)30(18)13-12-29(14)22(32)16-6-8-17(25)9-7-16/h6-9,14H,5,10-13H2,1-4H3/t14-/m1/s1
InChIKeyGXLVWSMJROYELD-CQSZACIVSA-N
MW482.59 g/mol
LogP4.22
Rot. Bonds3

About 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

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 (PubChem CID 166082358) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID166082358
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC Name1-[(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
SMILESCc1nsc(-c2nc(N3CCCC(C)(C)C3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C24H27FN6O2S/c1-14-18-19(31-11-5-10-24(3,4)23(31)33)27-20(21-26-15(2)28-34-21)30(18)13-12-29(14)22(32)16-6-8-17(25)9-7-16/h6-9,14H,5,10-13H2,1-4H3/t14-/m1/s1
InChIKeyGXLVWSMJROYELD-CQSZACIVSA-N
XLogP4.22
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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
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
(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
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
(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-methoxy-2H-pyrrol-5-one
CID 166082318
(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
(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
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
[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nsc(-c2nc(N3CCCC(C)(C)C3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of 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?
The InChIKey is GXLVWSMJROYELD-CQSZACIVSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-14-18-19(31-11-5-10-24(3,4)23(31)33)27-20(21-26-15(2)28-34-21)30(18)13-12-29(14)22(32)16-6-8-17(25)9-7-16/h6-9,14H,5,10-13H2,1-4H3/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 482.59 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166082358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).