(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C29H29N3O3 — CID 92704851

IUPAC(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O3/c1-3-35-24-15-13-22(14-16-24)19-32-27(33)26-17-23-11-7-8-12-25(23)31(26)20-29(32,2)28(34)30-18-21-9-5-4-6-10-21/h4-17H,3,18-20H2,1-2H3,(H,30,34)/t29-/m1/s1
InChIKeyXQMBFHQEMYISIA-GDLZYMKVSA-N
MW467.57 g/mol
LogP4.77
Rot. Bonds7

About (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92704851) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92704851
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O3/c1-3-35-24-15-13-22(14-16-24)19-32-27(33)26-17-23-11-7-8-12-25(23)31(26)20-29(32,2)28(34)30-18-21-9-5-4-6-10-21/h4-17H,3,18-20H2,1-2H3,(H,30,34)/t29-/m1/s1
InChIKeyXQMBFHQEMYISIA-GDLZYMKVSA-N
XLogP4.77
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961
(3R)-N-benzyl-2-[(3-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740250
N-cycloheptyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273123
(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273132
(6R)-N-benzyl-5-[(4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739351
(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266
(3S)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429
(3R)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225428
2-benzyl-3-methyl-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273238
(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740278
(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721776

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92704851) is (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is XQMBFHQEMYISIA-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-3-35-24-15-13-22(14-16-24)19-32-27(33)26-17-23-11-7-8-12-25(23)31(26)20-29(32,2)28(34)30-18-21-9-5-4-6-10-21/h4-17H,3,18-20H2,1-2H3,(H,30,34)/t29-/m1/s1.
What are the key properties of (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92704851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).