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

C43H46Cl2N8O3 — CID 166730908

About 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 166730908) has the molecular formula C43H46Cl2N8O3 and a molecular weight of 793.80 g/mol. Its IUPAC name is 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
• PubChem CID: 166730908
• Molecular Formula: C43H46Cl2N8O3
• Molecular Weight: 793.80 g/mol
• Exact Mass: 792.31
• IUPAC Name: 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
• SMILES: COCCn1cnc(-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/C43H46Cl2N8O3/c1-24-18-30(19-25(2)39(24)45)56-16-9-10-31-32-12-13-34(44)38(37-27(4)47-50(7)28(37)5)40(32)53-26(3)21-52(43(54)41(31)53)36-22-49(6)35-14-11-29(20-33(35)36)42-46-23-51(48-42)15-17-55-8/h11-14,18-20,22-23,26H,9-10,15-17,21H2,1-8H3
• InChIKey: SGPCOSXYVYPVSK-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 97.16 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.80
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 166730908) is 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is COCCn1cnc(-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The InChIKey is SGPCOSXYVYPVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46Cl2N8O3/c1-24-18-30(19-25(2)39(24)45)56-16-9-10-31-32-12-13-34(44)38(37-27(4)47-50(7)28(37)5)40(32)53-26(3)21-52(43(54)41(31)53)36-22-49(6)35-14-11-29(20-33(35)36)42-46-23-51(48-42)15-17-55-8/h11-14,18-20,22-23,26H,9-10,15-17,21H2,1-8H3.

What are the key properties of 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-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]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 793.80 g/mol, XLogP of 9.21, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindol-3-yl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 166730908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).