(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

C21H20F2N6O2S — CID 166082160

IUPAC(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
SMILESCc1nsc(-c2nc(N3CC[C@@H](F)C3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H20F2N6O2S/c1-11-16-17(29-8-7-15(23)21(29)31)25-18(19-24-12(2)26-32-19)28(16)10-9-27(11)20(30)13-3-5-14(22)6-4-13/h3-6,11,15H,7-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyCKSBKPFOXQVHIB-IAQYHMDHSA-N
MW458.49 g/mol
LogP3.14
Rot. Bonds3

About (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

(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 (PubChem CID 166082160) has the molecular formula C21H20F2N6O2S and a molecular weight of 458.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166082160
Molecular FormulaC21H20F2N6O2S
Molecular Weight458.49 g/mol
Exact Mass458.13
IUPAC Name(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
SMILESCc1nsc(-c2nc(N3CC[C@@H](F)C3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H20F2N6O2S/c1-11-16-17(29-8-7-15(23)21(29)31)25-18(19-24-12(2)26-32-19)28(16)10-9-27(11)20(30)13-3-5-14(22)6-4-13/h3-6,11,15H,7-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyCKSBKPFOXQVHIB-IAQYHMDHSA-N
XLogP3.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nsc(-c2nc(N3CC[C@@H](F)C3=O)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of (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?
The InChIKey is CKSBKPFOXQVHIB-IAQYHMDHSA-N. The full InChI is InChI=1S/C21H20F2N6O2S/c1-11-16-17(29-8-7-15(23)21(29)31)25-18(19-24-12(2)26-32-19)28(16)10-9-27(11)20(30)13-3-5-14(22)6-4-13/h3-6,11,15H,7-10H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 458.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166082160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).