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

C21H21N7OS — CID 177370995

IUPAC[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone
SMILESCc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccnn4C)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H21N7OS/c1-13-18-12-22-19(20-24-14(2)25-30-20)28(18)11-10-27(13)21(29)16-6-4-15(5-7-16)17-8-9-23-26(17)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyYEVCFKMRWMKZJR-CYBMUJFWSA-N
MW419.51 g/mol
LogP3.33
Rot. Bonds3

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

[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone (PubChem CID 177370995) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone
PubChem CID177370995
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone
SMILESCc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccnn4C)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H21N7OS/c1-13-18-12-22-19(20-24-14(2)25-30-20)28(18)11-10-27(13)21(29)16-6-4-15(5-7-16)17-8-9-23-26(17)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyYEVCFKMRWMKZJR-CYBMUJFWSA-N
XLogP3.33
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
7-[(2-Methylimidazol-1-yl)methyl]-2-[(2-methylpyridin-4-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 147934765
7-[(2-Methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153238800
2-[(4-Ethylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 153572297
7-[(2-Methylimidazol-1-yl)methyl]-2-[(4-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572325
7-[(2-Methylimidazol-1-yl)methyl]-2-[(6-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572508
7-[(2-Methylimidazol-1-yl)methyl]-2-[(3-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572565
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
2-[(4-Ethyl-2-pyridinyl)methyl]-7-[(2-methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 168271568

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone?
The IUPAC name of [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone (CID 177370995) is [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone.
What is the SMILES notation for [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone?
The canonical SMILES for [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone is Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccnn4C)cc2)[C@@H]3C)n1.
What is the InChIKey of [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone?
The InChIKey is YEVCFKMRWMKZJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-13-18-12-22-19(20-24-14(2)25-30-20)28(18)11-10-27(13)21(29)16-6-4-15(5-7-16)17-8-9-23-26(17)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone?
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone has a molecular weight of 419.51 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-[4-(2-methylpyrazol-3-yl)phenyl]methanone is sourced from PubChem (CID 177370995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).