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

C21H19N5O2 — CID 147632901

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
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)o1
InChIInChI=1S/C21H19N5O2/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/h2-5,8-9,11-12H,6-7,10,13H2,1H3
InChIKeyGGBGAOUQHDRYKK-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.98
Rot. Bonds3

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-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone (PubChem CID 147632901) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 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.

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
PubChem CID147632901
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
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
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)o1
InChIInChI=1S/C21H19N5O2/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/h2-5,8-9,11-12H,6-7,10,13H2,1H3
InChIKeyGGBGAOUQHDRYKK-UHFFFAOYSA-N
XLogP2.98
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 with MolForge

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Related Compounds

6-(Oxazol-5-yl)-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266579
(2S)-6-methyl-N-[(1S)-1-[5-[2-(1,3-oxazol-2-yl)quinolin-6-yl]-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506689
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
5-Methyl-2-(2-methylphenyl)-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-C]pyridin-3-YL)methyl]-1,3-oxazole
CID 16011781
N-methyl-N-{[5-methyl-2-(2-naphthyl)-1,3-oxazol-4-yl]methyl}-1-pyrimidin-4-ylethanamine
CID 16192144
2-ethyl-5-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 145974463
5-[8-[(2,4-dimethylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-ethylpyridine-2-carboxamide;hydrochloride
CID 156014550
N-ethyl-5-[2-methyl-8-[(2,4,6-trimethylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156020299
2-(4-ethylimidazol-1-yl)-9-(1,3-oxazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335640
2-(4-cyclopropylimidazol-1-yl)-9-(4-methyl-1,3-oxazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335736
2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-1,3-oxazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335737
2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335920

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?
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 (CID 147632901) 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.
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?
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 is Cc1ncc(-c2ccc3cnc(CC(=O)N4CCn5ccnc5C4)cc3c2)o1.
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?
The InChIKey is GGBGAOUQHDRYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/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/h2-5,8-9,11-12H,6-7,10,13H2,1H3.
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-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone has a molecular weight of 373.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 147632901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).