(4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

C47H59Cl2N5O3Si — CID 164522976

About (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

(4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 164522976) has the molecular formula C47H59Cl2N5O3Si and a molecular weight of 841.01 g/mol. Its IUPAC name is (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

• Compound Name: (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
• PubChem CID: 164522976
• Molecular Formula: C47H59Cl2N5O3Si
• Molecular Weight: 841.01 g/mol
• Exact Mass: 839.38
• IUPAC Name: (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
• SMILES: Cc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(c1)cc(C)n2CCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C47H59Cl2N5O3Si/c1-27-21-34-25-30(4)52(18-20-57-58(12,13)47(8,9)10)43(34)39(22-27)53-26-31(5)54-44-37(16-17-38(48)41(44)40-32(6)50-51(11)33(40)7)36(45(54)46(53)55)15-14-19-56-35-23-28(2)42(49)29(3)24-35/h16-17,21-25,31H,14-15,18-20,26H2,1-13H3/t31-/m1/s1
• InChIKey: XITMGGLVLGQGSU-WJOKGBTCSA-N
• XLogP: 12.41
• TPSA: 66.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.01
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The IUPAC name of (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 164522976) is (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

What is the SMILES notation for (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The canonical SMILES for (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is Cc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(c1)cc(C)n2CCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

The InChIKey is XITMGGLVLGQGSU-WJOKGBTCSA-N. The full InChI is InChI=1S/C47H59Cl2N5O3Si/c1-27-21-34-25-30(4)52(18-20-57-58(12,13)47(8,9)10)43(34)39(22-27)53-26-31(5)54-44-37(16-17-38(48)41(44)40-32(6)50-51(11)33(40)7)36(45(54)46(53)55)15-14-19-56-35-23-28(2)42(49)29(3)24-35/h16-17,21-25,31H,14-15,18-20,26H2,1-13H3/t31-/m1/s1.

What are the key properties of (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?

(4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 841.01 g/mol, XLogP of 12.41, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5-dimethylindol-7-yl]-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 164522976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).