(4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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

C48H54Cl2N8O4 — CID 174102101

About (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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 174102101) has the molecular formula C48H54Cl2N8O4 and a molecular weight of 877.92 g/mol. Its IUPAC name is (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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: 174102101
• Molecular Formula: C48H54Cl2N8O4
• Molecular Weight: 877.92 g/mol
• Exact Mass: 876.36
• IUPAC Name: (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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: C/N=C/C(C)=C(N)c1ccc2c(c1)c(N1C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C1=O)cn2CC(=O)N1CCOCC1
• InChI: InChI=1S/C48H54Cl2N8O4/c1-27-20-34(21-28(2)44(27)50)62-17-9-10-35-36-12-13-38(49)43(42-31(5)53-54(8)32(42)6)46(36)58-30(4)24-57(48(60)47(35)58)40-25-56(26-41(59)55-15-18-61-19-16-55)39-14-11-33(22-37(39)40)45(51)29(3)23-52-7/h11-14,20-23,25,30H,9-10,15-19,24,26,51H2,1-8H3/b45-29?,52-23+/t30-/m1/s1
• InChIKey: DZCAXOHSSFSOLD-DVMALTHISA-N
• XLogP: 9.02
• TPSA: 125.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.92
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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 174102101) is (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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 C/N=C/C(C)=C(N)c1ccc2c(c1)c(N1C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C1=O)cn2CC(=O)N1CCOCC1.

What is the InChIKey of (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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 DZCAXOHSSFSOLD-DVMALTHISA-N. The full InChI is InChI=1S/C48H54Cl2N8O4/c1-27-20-34(21-28(2)44(27)50)62-17-9-10-35-36-12-13-38(49)43(42-31(5)53-54(8)32(42)6)46(36)58-30(4)24-57(48(60)47(35)58)40-25-56(26-41(59)55-15-18-61-19-16-55)39-14-11-33(22-37(39)40)45(51)29(3)23-52-7/h11-14,20-23,25,30H,9-10,15-19,24,26,51H2,1-8H3/b45-29?,52-23+/t30-/m1/s1.

What are the key properties of (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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 877.92 g/mol, XLogP of 9.02, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[5-(1-amino-2-methyl-3-methyliminoprop-1-enyl)-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-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 174102101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).