methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate

C40H42Cl2N6O4 — CID 175931851

About methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate

methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate (PubChem CID 175931851) has the molecular formula C40H42Cl2N6O4 and a molecular weight of 741.72 g/mol. Its IUPAC name is methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate
• PubChem CID: 175931851
• Molecular Formula: C40H42Cl2N6O4
• Molecular Weight: 741.72 g/mol
• Exact Mass: 740.26
• IUPAC Name: methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate
• SMILES: COC(=O)c1c[nH]c2c(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c54)C3=O)cc(N)c(C)c12
• InChI: InChI=1S/C40H42Cl2N6O4/c1-19-14-25(15-20(2)35(19)42)52-13-9-10-26-27-11-12-29(41)34(33-23(5)45-46(7)24(33)6)37(27)48-21(3)18-47(39(49)38(26)48)31-16-30(43)22(4)32-28(40(50)51-8)17-44-36(31)32/h11-12,14-17,21,44H,9-10,13,18,43H2,1-8H3/t21-/m1/s1
• InChIKey: GHMHYYJXCSFYAD-OAQYLSRUSA-N
• XLogP: 8.97
• TPSA: 120.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.72
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate?

The IUPAC name of methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate (CID 175931851) is methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate.

What is the SMILES notation for methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate?

The canonical SMILES for methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2c(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c54)C3=O)cc(N)c(C)c12.

What is the InChIKey of methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate?

The InChIKey is GHMHYYJXCSFYAD-OAQYLSRUSA-N. The full InChI is InChI=1S/C40H42Cl2N6O4/c1-19-14-25(15-20(2)35(19)42)52-13-9-10-26-27-11-12-29(41)34(33-23(5)45-46(7)24(33)6)37(27)48-21(3)18-47(39(49)38(26)48)31-16-30(43)22(4)32-28(40(50)51-8)17-44-36(31)32/h11-12,14-17,21,44H,9-10,13,18,43H2,1-8H3/t21-/m1/s1.

What are the key properties of methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate?

methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate has a molecular weight of 741.72 g/mol, XLogP of 8.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-amino-7-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-4-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 175931851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).