[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone

C21H20N6OS — CID 177370994

IUPAC[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone
SMILESCc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccc[nH]4)cc2)C3C)n1
InChIInChI=1S/C21H20N6OS/c1-13-18-12-23-19(20-24-14(2)25-29-20)27(18)11-10-26(13)21(28)16-7-5-15(6-8-16)17-4-3-9-22-17/h3-9,12-13,22H,10-11H2,1-2H3
InChIKeyFFJCXUYEZJYVKZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.92
Rot. Bonds3

About [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone

[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone (PubChem CID 177370994) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone
PubChem CID177370994
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone
SMILESCc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccc[nH]4)cc2)C3C)n1
InChIInChI=1S/C21H20N6OS/c1-13-18-12-23-19(20-24-14(2)25-29-20)27(18)11-10-26(13)21(28)16-7-5-15(6-8-16)17-4-3-9-22-17/h3-9,12-13,22H,10-11H2,1-2H3
InChIKeyFFJCXUYEZJYVKZ-UHFFFAOYSA-N
XLogP3.92
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71549769
[(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
1H-indol-5-yl-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166067706
(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
N-[(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]methanesulfonamide
CID 166082409
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 86275208
3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole
CID 166082146
[(8R)-1-(benzhydrylideneamino)-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 166082234
N-[(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]-N-methylbenzamide
CID 166082366
(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
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]-2-hydroxyacetamide
CID 166082244
2-chloro-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]acetamide
CID 174200380

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone?
The IUPAC name of [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone (CID 177370994) is [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone.
What is the SMILES notation for [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone?
The canonical SMILES for [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone is Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccc[nH]4)cc2)C3C)n1.
What is the InChIKey of [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone?
The InChIKey is FFJCXUYEZJYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-13-18-12-23-19(20-24-14(2)25-29-20)27(18)11-10-26(13)21(28)16-7-5-15(6-8-16)17-4-3-9-22-17/h3-9,12-13,22H,10-11H2,1-2H3.
What are the key properties of [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone?
[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone has a molecular weight of 404.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(1H-pyrrol-2-yl)phenyl]methanone is sourced from PubChem (CID 177370994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).