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

C40H37Cl2FN4O2 — CID 157410447

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

8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 157410447) has the molecular formula C40H37Cl2FN4O2 and a molecular weight of 695.67 g/mol. Its IUPAC name is 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

• Compound Name: 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
• PubChem CID: 157410447
• Molecular Formula: C40H37Cl2FN4O2
• Molecular Weight: 695.67 g/mol
• Exact Mass: 694.23
• IUPAC Name: 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
• SMILES: Cc1c2n(c3c(-c4ccc(C(C)C)cc4)cc(Cl)cc13)CCNC2=O.Cc1ccc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)cc1F
• InChI: InChI=1S/C21H21ClN2O.C19H16ClFN2O/c1-12(2)14-4-6-15(7-5-14)18-11-16(22)10-17-13(3)19-21(25)23-8-9-24(19)20(17)18;1-10-3-4-12(7-16(10)21)15-9-13(20)8-14-11(2)17-19(24)22-5-6-23(17)18(14)15/h4-7,10-12H,8-9H2,1-3H3,(H,23,25);3-4,7-9H,5-6H2,1-2H3,(H,22,24)
• InChIKey: BOFKWBGBKHDRQD-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 68.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.67
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The IUPAC name of 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 157410447) is 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

What is the SMILES notation for 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The canonical SMILES for 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4ccc(C(C)C)cc4)cc(Cl)cc13)CCNC2=O.Cc1ccc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)cc1F.

What is the InChIKey of 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The InChIKey is BOFKWBGBKHDRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O.C19H16ClFN2O/c1-12(2)14-4-6-15(7-5-14)18-11-16(22)10-17-13(3)19-21(25)23-8-9-24(19)20(17)18;1-10-3-4-12(7-16(10)21)15-9-13(20)8-14-11(2)17-19(24)22-5-6-23(17)18(14)15/h4-7,10-12H,8-9H2,1-3H3,(H,23,25);3-4,7-9H,5-6H2,1-2H3,(H,22,24).

What are the key properties of 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 695.67 g/mol, XLogP of 9.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 157410447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).