6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C37H33FN4O3 — CID 161485427

IUPAC6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(C)cc3cc4n(c23)CCNC4=O)cc1.Cc1cc(-c2ccc(F)cc2)c2c(c1)cc1n2CCNC1=O
InChIInChI=1S/C19H18N2O2.C18H15FN2O/c1-12-9-14-11-17-19(22)20-7-8-21(17)18(14)16(10-12)13-3-5-15(23-2)6-4-13;1-11-8-13-10-16-18(22)20-6-7-21(16)17(13)15(9-11)12-2-4-14(19)5-3-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,22);2-5,8-10H,6-7H2,1H3,(H,20,22)
InChIKeyWEXKEUYATSFHNP-UHFFFAOYSA-N
MW600.69 g/mol
LogP6.87
Rot. Bonds3

About 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 161485427) has the molecular formula C37H33FN4O3 and a molecular weight of 600.69 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID161485427
Molecular FormulaC37H33FN4O3
Molecular Weight600.69 g/mol
Exact Mass600.25
IUPAC Name6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(C)cc3cc4n(c23)CCNC4=O)cc1.Cc1cc(-c2ccc(F)cc2)c2c(c1)cc1n2CCNC1=O
InChIInChI=1S/C19H18N2O2.C18H15FN2O/c1-12-9-14-11-17-19(22)20-7-8-21(17)18(14)16(10-12)13-3-5-15(23-2)6-4-13;1-11-8-13-10-16-18(22)20-6-7-21(16)17(13)15(9-11)12-2-4-14(19)5-3-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,22);2-5,8-10H,6-7H2,1H3,(H,20,22)
InChIKeyWEXKEUYATSFHNP-UHFFFAOYSA-N
XLogP6.87
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.69
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 161485427) is 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc(-c2cc(C)cc3cc4n(c23)CCNC4=O)cc1.Cc1cc(-c2ccc(F)cc2)c2c(c1)cc1n2CCNC1=O.
What is the InChIKey of 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is WEXKEUYATSFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.C18H15FN2O/c1-12-9-14-11-17-19(22)20-7-8-21(17)18(14)16(10-12)13-3-5-15(23-2)6-4-13;1-11-8-13-10-16-18(22)20-6-7-21(16)17(13)15(9-11)12-2-4-14(19)5-3-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,22);2-5,8-10H,6-7H2,1H3,(H,20,22).
What are the key properties of 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 600.69 g/mol, XLogP of 6.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 161485427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).