N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C26H23N3O3 — CID 15605247

IUPACN-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCOc1ccccc1-c1cccc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)c1
InChIInChI=1S/C26H23N3O3/c1-16-15-27-26(31)23-13-18-10-11-19(14-22(18)29(16)23)25(30)28-20-7-5-6-17(12-20)21-8-3-4-9-24(21)32-2/h3-14,16H,15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyODWYPRYPNVHUHF-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.87
Rot. Bonds4

About N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15605247) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15605247
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCOc1ccccc1-c1cccc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)c1
InChIInChI=1S/C26H23N3O3/c1-16-15-27-26(31)23-13-18-10-11-19(14-22(18)29(16)23)25(30)28-20-7-5-6-17(12-20)21-8-3-4-9-24(21)32-2/h3-14,16H,15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyODWYPRYPNVHUHF-UHFFFAOYSA-N
XLogP4.87
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15605247) is N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is COc1ccccc1-c1cccc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)c1.
What is the InChIKey of N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is ODWYPRYPNVHUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-15-27-26(31)23-13-18-10-11-19(14-22(18)29(16)23)25(30)28-20-7-5-6-17(12-20)21-8-3-4-9-24(21)32-2/h3-14,16H,15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15605247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).