7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

C43H43Cl2N7O2 — CID 175244734

About 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 175244734) has the molecular formula C43H43Cl2N7O2 and a molecular weight of 760.77 g/mol. Its IUPAC name is 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

• Compound Name: 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
• PubChem CID: 175244734
• Molecular Formula: C43H43Cl2N7O2
• Molecular Weight: 760.77 g/mol
• Exact Mass: 759.29
• IUPAC Name: 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
• SMILES: Cc1ccnc(-c2ccc3c(c2)c(N2CC(C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c54)C2=O)cn3C)n1
• InChI: InChI=1S/C43H43Cl2N7O2/c1-23-18-30(19-24(2)39(23)45)54-17-9-10-31-32-12-13-34(44)38(37-27(5)48-50(8)28(37)6)40(32)52-26(4)21-51(43(53)41(31)52)36-22-49(7)35-14-11-29(20-33(35)36)42-46-16-15-25(3)47-42/h11-16,18-20,22,26H,9-10,17,21H2,1-8H3
• InChIKey: XHRSIGVBKHBQID-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 83.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.77
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The IUPAC name of 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 175244734) is 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

What is the SMILES notation for 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The canonical SMILES for 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is Cc1ccnc(-c2ccc3c(c2)c(N2CC(C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c54)C2=O)cn3C)n1.

What is the InChIKey of 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The InChIKey is XHRSIGVBKHBQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43Cl2N7O2/c1-23-18-30(19-24(2)39(23)45)54-17-9-10-31-32-12-13-34(44)38(37-27(5)48-50(8)28(37)6)40(32)52-26(4)21-51(43(53)41(31)52)36-22-49(7)35-14-11-29(20-33(35)36)42-46-16-15-25(3)47-42/h11-16,18-20,22,26H,9-10,17,21H2,1-8H3.

What are the key properties of 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 760.77 g/mol, XLogP of 10.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-[1-methyl-5-(4-methylpyrimidin-2-yl)indol-3-yl]-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 175244734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).