(5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one

C23H24FN3O2 — CID 68653142

IUPAC(5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one
SMILESCC[C@]1(c2ccc(C)cc2OC)C(=O)N(Cc2ccc(F)cc2)Cc2cncn21
InChIInChI=1S/C23H24FN3O2/c1-4-23(20-10-5-16(2)11-21(20)29-3)22(28)26(14-19-12-25-15-27(19)23)13-17-6-8-18(24)9-7-17/h5-12,15H,4,13-14H2,1-3H3/t23-/m0/s1
InChIKeyVOGMHYROBPFMJD-QHCPKHFHSA-N
MW393.46 g/mol
LogP4.04
Rot. Bonds5

About (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one

(5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one (PubChem CID 68653142) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one
PubChem CID68653142
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one
SMILESCC[C@]1(c2ccc(C)cc2OC)C(=O)N(Cc2ccc(F)cc2)Cc2cncn21
InChIInChI=1S/C23H24FN3O2/c1-4-23(20-10-5-16(2)11-21(20)29-3)22(28)26(14-19-12-25-15-27(19)23)13-17-6-8-18(24)9-7-17/h5-12,15H,4,13-14H2,1-3H3/t23-/m0/s1
InChIKeyVOGMHYROBPFMJD-QHCPKHFHSA-N
XLogP4.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 18536050
23-Oxo-4-propyl-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 18536181
4-Methyl-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 20585601
23-Oxo-4-prop-2-enyl-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 20585634
1-(3-Chlorophenyl)-4-[2-[3-[[3-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]ethyl]piperazin-2-one
CID 9916011
4-Fluoro-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 44372893
23-Oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3(27),4,6,9,11,13(26),16,18-octaene-10-carbonitrile
CID 9801069
1-(3-Chlorophenyl)-4-[[3-[[3-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]piperazin-2-one
CID 9872396
4-(3,3-Dimethylbutyl)-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 20585639
2-[4-(3-Methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71573458
(5R)-5-(4-cyano-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-5-carboxamide
CID 76324672
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86582816

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one (CID 68653142) is (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one is CC[C@]1(c2ccc(C)cc2OC)C(=O)N(Cc2ccc(F)cc2)Cc2cncn21.
What is the InChIKey of (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one?
The InChIKey is VOGMHYROBPFMJD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-4-23(20-10-5-16(2)11-21(20)29-3)22(28)26(14-19-12-25-15-27(19)23)13-17-6-8-18(24)9-7-17/h5-12,15H,4,13-14H2,1-3H3/t23-/m0/s1.
What are the key properties of (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one?
(5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one has a molecular weight of 393.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-4-methylphenyl)-8H-imidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 68653142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).