8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C38H30Cl2F4N4O3 — CID 161321420

IUPAC8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccc(OC(F)(F)F)cc4)cc(Cl)cc13)CCNC2=O.Cc1cc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)ccc1F
InChIInChI=1S/C19H14ClF3N2O2.C19H16ClFN2O/c1-10-14-8-12(20)9-15(17(14)25-7-6-24-18(26)16(10)25)11-2-4-13(5-3-11)27-19(21,22)23;1-10-7-12(3-4-16(10)21)15-9-13(20)8-14-11(2)17-19(24)22-5-6-23(17)18(14)15/h2-5,8-9H,6-7H2,1H3,(H,24,26);3-4,7-9H,5-6H2,1-2H3,(H,22,24)
InChIKeyVKERLTRXVGLHLJ-UHFFFAOYSA-N
MW737.58 g/mol
LogP9.37
Rot. Bonds3

About 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 161321420) has the molecular formula C38H30Cl2F4N4O3 and a molecular weight of 737.58 g/mol. Its IUPAC name is 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID161321420
Molecular FormulaC38H30Cl2F4N4O3
Molecular Weight737.58 g/mol
Exact Mass736.16
IUPAC Name8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccc(OC(F)(F)F)cc4)cc(Cl)cc13)CCNC2=O.Cc1cc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)ccc1F
InChIInChI=1S/C19H14ClF3N2O2.C19H16ClFN2O/c1-10-14-8-12(20)9-15(17(14)25-7-6-24-18(26)16(10)25)11-2-4-13(5-3-11)27-19(21,22)23;1-10-7-12(3-4-16(10)21)15-9-13(20)8-14-11(2)17-19(24)22-5-6-23(17)18(14)15/h2-5,8-9H,6-7H2,1H3,(H,24,26);3-4,7-9H,5-6H2,1-2H3,(H,22,24)
InChIKeyVKERLTRXVGLHLJ-UHFFFAOYSA-N
XLogP9.37
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.58
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

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Related Compounds

8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 73335107
8-Fluoro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90680747
[5-Chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 155513357
(5-chloro-1H-indol-2-yl)-[(1R)-1-(4-ethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 156869261
1-(4-chlorobenzyl)-5-(4-fluoro-3-methylphenyl)-N-(4-methoxybenzyl)-1h-indole-2-carboxamide
CID 129834174
N-[2-[[2,2-bis(4-fluorophenyl)-5-[4-(2-methoxyphenyl)piperidin-1-yl]pentyl]amino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxamide
CID 9939913
[6-chloro-9-(4-fluorobenzoyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone
CID 117937397
5-Chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)-phenyl]indole-2-carboxamide
CID 117955762
5-Chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 117963054
8-Fluoro-10-methyl-6-(4-trifluoromethoxy-phenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 118341131
8-Chloro-10-methyl-6-(4-trifluoromethoxy-phenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 118341143
6-(4-tert-butylphenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 157275963

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 161321420) is 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4ccc(OC(F)(F)F)cc4)cc(Cl)cc13)CCNC2=O.Cc1cc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)ccc1F.
What is the InChIKey of 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is VKERLTRXVGLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2.C19H16ClFN2O/c1-10-14-8-12(20)9-15(17(14)25-7-6-24-18(26)16(10)25)11-2-4-13(5-3-11)27-19(21,22)23;1-10-7-12(3-4-16(10)21)15-9-13(20)8-14-11(2)17-19(24)22-5-6-23(17)18(14)15/h2-5,8-9H,6-7H2,1H3,(H,24,26);3-4,7-9H,5-6H2,1-2H3,(H,22,24).
What are the key properties of 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 737.58 g/mol, XLogP of 9.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(4-fluoro-3-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 161321420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).