(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

C23H25FN6O3S — CID 166082369

IUPAC(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
SMILESCO[C@H]1CCN(c2nc(-c3nc(C)ns3)n3c2[C@@H](C)N(C(=O)c2ccc(F)cc2)CC3)C(=O)C1
InChIInChI=1S/C23H25FN6O3S/c1-13-19-20(29-9-8-17(33-3)12-18(29)31)26-21(22-25-14(2)27-34-22)30(19)11-10-28(13)23(32)15-4-6-16(24)7-5-15/h4-7,13,17H,8-12H2,1-3H3/t13-,17+/m1/s1
InChIKeyGVFHFHSYQOPHSX-DYVFJYSZSA-N
MW484.56 g/mol
LogP3.21
Rot. Bonds4

About (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

(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 (PubChem CID 166082369) has the molecular formula C23H25FN6O3S and a molecular weight of 484.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166082369
Molecular FormulaC23H25FN6O3S
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name(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
SMILESCO[C@H]1CCN(c2nc(-c3nc(C)ns3)n3c2[C@@H](C)N(C(=O)c2ccc(F)cc2)CC3)C(=O)C1
InChIInChI=1S/C23H25FN6O3S/c1-13-19-20(29-9-8-17(33-3)12-18(29)31)26-21(22-25-14(2)27-34-22)30(19)11-10-28(13)23(32)15-4-6-16(24)7-5-15/h4-7,13,17H,8-12H2,1-3H3/t13-,17+/m1/s1
InChIKeyGVFHFHSYQOPHSX-DYVFJYSZSA-N
XLogP3.21
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
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
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)-[(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
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
(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
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
N-[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-methoxypropanamide
CID 171760139
[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@H]1CCN(c2nc(-c3nc(C)ns3)n3c2[C@@H](C)N(C(=O)c2ccc(F)cc2)CC3)C(=O)C1.
What is the InChIKey of (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?
The InChIKey is GVFHFHSYQOPHSX-DYVFJYSZSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-13-19-20(29-9-8-17(33-3)12-18(29)31)26-21(22-25-14(2)27-34-22)30(19)11-10-28(13)23(32)15-4-6-16(24)7-5-15/h4-7,13,17H,8-12H2,1-3H3/t13-,17+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 484.56 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166082369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).