1-[7-[(4-fluorophenyl)methyl]-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

C21H23FN6OS — CID 174199437

IUPAC1-[7-[(4-fluorophenyl)methyl]-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(N3CCCC3=O)c3n2CCN(Cc2ccc(F)cc2)C3C)n1
InChIInChI=1S/C21H23FN6OS/c1-13-18-19(27-9-3-4-17(27)29)24-20(21-23-14(2)25-30-21)28(18)11-10-26(13)12-15-5-7-16(22)8-6-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyRRAUCAAUXOINGK-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.55
Rot. Bonds4

About 1-[7-[(4-fluorophenyl)methyl]-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

1-[7-[(4-fluorophenyl)methyl]-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 174199437) has the molecular formula C21H23FN6OS and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[7-[(4-fluorophenyl)methyl]-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 Name1-[7-[(4-fluorophenyl)methyl]-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 CID174199437
Molecular FormulaC21H23FN6OS
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name1-[7-[(4-fluorophenyl)methyl]-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(N3CCCC3=O)c3n2CCN(Cc2ccc(F)cc2)C3C)n1
InChIInChI=1S/C21H23FN6OS/c1-13-18-19(27-9-3-4-17(27)29)24-20(21-23-14(2)25-30-21)28(18)11-10-26(13)12-15-5-7-16(22)8-6-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyRRAUCAAUXOINGK-UHFFFAOYSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(4-fluorophenyl)methyl]-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 1-[7-[(4-fluorophenyl)methyl]-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 174199437) is 1-[7-[(4-fluorophenyl)methyl]-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 1-[7-[(4-fluorophenyl)methyl]-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 1-[7-[(4-fluorophenyl)methyl]-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(N3CCCC3=O)c3n2CCN(Cc2ccc(F)cc2)C3C)n1.
What is the InChIKey of 1-[7-[(4-fluorophenyl)methyl]-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 RRAUCAAUXOINGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6OS/c1-13-18-19(27-9-3-4-17(27)29)24-20(21-23-14(2)25-30-21)28(18)11-10-26(13)12-15-5-7-16(22)8-6-15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[7-[(4-fluorophenyl)methyl]-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?
1-[7-[(4-fluorophenyl)methyl]-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 426.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(4-fluorophenyl)methyl]-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 174199437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).