1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

C41H37N11O3S — CID 159109911

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)s1
InChIInChI=1S/C21H19N5O2.C20H18N6OS/c1-14-23-12-19(28-14)15-2-3-16-11-24-18(9-17(16)8-15)10-21(27)26-7-6-25-5-4-22-20(25)13-26;1-13-23-24-20(28-13)14-2-3-15-11-22-17(9-16(15)8-14)10-19(27)26-7-6-25-5-4-21-18(25)12-26/h2-5,8-9,11-12H,6-7,10,13H2,1H3;2-5,8-9,11H,6-7,10,12H2,1H3
InChIKeyKEIYMLNBYGOJNR-UHFFFAOYSA-N
MW763.89 g/mol
LogP5.82
Rot. Bonds6

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 159109911) has the molecular formula C41H37N11O3S and a molecular weight of 763.89 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
PubChem CID159109911
Molecular FormulaC41H37N11O3S
Molecular Weight763.89 g/mol
Exact Mass763.28
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)s1
InChIInChI=1S/C21H19N5O2.C20H18N6OS/c1-14-23-12-19(28-14)15-2-3-16-11-24-18(9-17(16)8-15)10-21(27)26-7-6-25-5-4-22-20(25)13-26;1-13-23-24-20(28-13)14-2-3-15-11-22-17(9-16(15)8-14)10-19(27)26-7-6-25-5-4-21-18(25)12-26/h2-5,8-9,11-12H,6-7,10,13H2,1H3;2-5,8-9,11H,6-7,10,12H2,1H3
InChIKeyKEIYMLNBYGOJNR-UHFFFAOYSA-N
XLogP5.82
TPSA153.85 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.89
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 138559255
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 147324717
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 147632901
1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 148989278
1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 153133656
2,5-Dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
CID 157088584
2-(3-Anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole
CID 157157283
1-[4-Deuterio-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)ethanone;1-[4-[2-(fluoromethyl)aziridin-1-yl]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-methylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-[methyl(trideuteriomethyl)amino]cyclohexyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-[methyl(trideuteriomethyl)amino]cyclohexyl]ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157388467
1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 157840406
CID 157853447
CID 157853447
2-[4-[4-[4-([1,3]Oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-phenyl-2-[4-[4-[4-(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyrazine;3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-pyridin-2-yl-2-[4-[4-[4-(3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[4,5-b]quinoxalin-2-yl)phenyl]phenyl]phenyl]-5,6,7,8-tetrahydroimidazo[4,5-b]quinoxaline;2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 157855329
5-[4-[4-Phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;5-(6-pyridin-3-yl-3-pyridinyl)-2-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole
CID 158064961

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (CID 159109911) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)s1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
The InChIKey is KEIYMLNBYGOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.C20H18N6OS/c1-14-23-12-19(28-14)15-2-3-16-11-24-18(9-17(16)8-15)10-21(27)26-7-6-25-5-4-22-20(25)13-26;1-13-23-24-20(28-13)14-2-3-15-11-22-17(9-16(15)8-14)10-19(27)26-7-6-25-5-4-21-18(25)12-26/h2-5,8-9,11-12H,6-7,10,13H2,1H3;2-5,8-9,11H,6-7,10,12H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 763.89 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 159109911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).