1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C39H47F3N8O4 — CID 160992277

IUPAC1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCC(=O)N1CCn2c(N3CCOCC3)nc(-c3ccc(C)cc3)c2C1.Cc1ccc(-c2nc(N3CCOCC3)n3c2CN(C(=O)C(F)(F)F)CC3)cc1
InChIInChI=1S/C20H26N4O2.C19H21F3N4O2/c1-3-18(25)23-8-9-24-17(14-23)19(16-6-4-15(2)5-7-16)21-20(24)22-10-12-26-13-11-22;1-13-2-4-14(5-3-13)16-15-12-25(17(27)19(20,21)22)6-7-26(15)18(23-16)24-8-10-28-11-9-24/h4-7H,3,8-14H2,1-2H3;2-5H,6-12H2,1H3
InChIKeyTUUDXMWEDORMKH-UHFFFAOYSA-N
MW748.85 g/mol
LogP5.05
Rot. Bonds5

About 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 160992277) has the molecular formula C39H47F3N8O4 and a molecular weight of 748.85 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID160992277
Molecular FormulaC39H47F3N8O4
Molecular Weight748.85 g/mol
Exact Mass748.37
IUPAC Name1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCC(=O)N1CCn2c(N3CCOCC3)nc(-c3ccc(C)cc3)c2C1.Cc1ccc(-c2nc(N3CCOCC3)n3c2CN(C(=O)C(F)(F)F)CC3)cc1
InChIInChI=1S/C20H26N4O2.C19H21F3N4O2/c1-3-18(25)23-8-9-24-17(14-23)19(16-6-4-15(2)5-7-16)21-20(24)22-10-12-26-13-11-22;1-13-2-4-14(5-3-13)16-15-12-25(17(27)19(20,21)22)6-7-26(15)18(23-16)24-8-10-28-11-9-24/h4-7H,3,8-14H2,1-2H3;2-5H,6-12H2,1H3
InChIKeyTUUDXMWEDORMKH-UHFFFAOYSA-N
XLogP5.05
TPSA101.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.85
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Related Compounds

7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-morpholin-4-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158113584
1-[4-[4-[2-(Difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-phenylethanone
CID 57419281
1-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 58728083
4-[3-[5-Pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine;4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
CID 88172843
[2-Benzyl-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 88194665
[(2R,4S)-2-benzyl-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 88212217
[(2R,4R)-2-benzyl-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 88212450
2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 117748628
[(2S,4R)-2-benzyl-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 140410512
[(2S,4S)-2-benzyl-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 140410519
methyl 1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 158936291
methyl 1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;4-[1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 159116387

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 160992277) is 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CCC(=O)N1CCn2c(N3CCOCC3)nc(-c3ccc(C)cc3)c2C1.Cc1ccc(-c2nc(N3CCOCC3)n3c2CN(C(=O)C(F)(F)F)CC3)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is TUUDXMWEDORMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C19H21F3N4O2/c1-3-18(25)23-8-9-24-17(14-23)19(16-6-4-15(2)5-7-16)21-20(24)22-10-12-26-13-11-22;1-13-2-4-14(5-3-13)16-15-12-25(17(27)19(20,21)22)6-7-26(15)18(23-16)24-8-10-28-11-9-24/h4-7H,3,8-14H2,1-2H3;2-5H,6-12H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 748.85 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 160992277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).