(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

C22H19FN6OS — CID 166082162

IUPAC(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
SMILESCc1nsc(-c2nc(-c3ccncc3)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C22H19FN6OS/c1-13-19-18(15-7-9-24-10-8-15)26-20(21-25-14(2)27-31-21)29(19)12-11-28(13)22(30)16-3-5-17(23)6-4-16/h3-10,13H,11-12H2,1-2H3
InChIKeyKIVYPRPBARNEMT-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.13
Rot. Bonds3

About (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

(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 (PubChem CID 166082162) has the molecular formula C22H19FN6OS and a molecular weight of 434.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166082162
Molecular FormulaC22H19FN6OS
Molecular Weight434.50 g/mol
Exact Mass434.13
IUPAC Name(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
SMILESCc1nsc(-c2nc(-c3ccncc3)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C22H19FN6OS/c1-13-19-18(15-7-9-24-10-8-15)26-20(21-25-14(2)27-31-21)29(19)12-11-28(13)22(30)16-3-5-17(23)6-4-16/h3-10,13H,11-12H2,1-2H3
InChIKeyKIVYPRPBARNEMT-UHFFFAOYSA-N
XLogP4.13
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nsc(-c2nc(-c3ccncc3)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1.
What is the InChIKey of (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?
The InChIKey is KIVYPRPBARNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6OS/c1-13-19-18(15-7-9-24-10-8-15)26-20(21-25-14(2)27-31-21)29(19)12-11-28(13)22(30)16-3-5-17(23)6-4-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 434.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166082162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).