2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C28H26BrN3O3 — CID 46273231

IUPAC2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C28H26BrN3O3/c1-28(27(34)30-16-21-10-4-6-13-25(21)35-2)18-31-23-12-5-3-9-20(23)15-24(31)26(33)32(28)17-19-8-7-11-22(29)14-19/h3-15H,16-18H2,1-2H3,(H,30,34)
InChIKeyRIJFUMFBJPOARR-UHFFFAOYSA-N
MW532.44 g/mol
LogP5.14
Rot. Bonds6

About 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46273231) has the molecular formula C28H26BrN3O3 and a molecular weight of 532.44 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46273231
Molecular FormulaC28H26BrN3O3
Molecular Weight532.44 g/mol
Exact Mass531.12
IUPAC Name2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C28H26BrN3O3/c1-28(27(34)30-16-21-10-4-6-13-25(21)35-2)18-31-23-12-5-3-9-20(23)15-24(31)26(33)32(28)17-19-8-7-11-22(29)14-19/h3-15H,16-18H2,1-2H3,(H,30,34)
InChIKeyRIJFUMFBJPOARR-UHFFFAOYSA-N
XLogP5.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46273231) is 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccccc1CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is RIJFUMFBJPOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrN3O3/c1-28(27(34)30-16-21-10-4-6-13-25(21)35-2)18-31-23-12-5-3-9-20(23)15-24(31)26(33)32(28)17-19-8-7-11-22(29)14-19/h3-15H,16-18H2,1-2H3,(H,30,34).
What are the key properties of 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 532.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46273231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).