6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

C20H17N3O2 — CID 90036215

IUPAC6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1
InChIInChI=1S/C20H17N3O2/c1-12-16-9-13(11-21)10-17(14-3-5-15(25-2)6-4-14)19(16)23-8-7-22-20(24)18(12)23/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)
InChIKeyDRICTVIAMIAFFG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.24
Rot. Bonds2

About 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (PubChem CID 90036215) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
PubChem CID90036215
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1
InChIInChI=1S/C20H17N3O2/c1-12-16-9-13(11-21)10-17(14-3-5-15(25-2)6-4-14)19(16)23-8-7-22-20(24)18(12)23/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)
InChIKeyDRICTVIAMIAFFG-UHFFFAOYSA-N
XLogP3.24
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
Carbazole-3-carboxamide analog 1
CID 46871948
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10071413
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
6-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10477871
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxy-5-methylphenyl)methyl]indole-2-carboxamide
CID 24890180
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 24890182
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 24890183
(6S)-6-benzyl-4-(5-cyclopropyl-1H-indole-2-carbonyl)-1-[(2-methoxyphenyl)methyl]piperazin-2-one
CID 122600761
Marinacarboline A
CID 56598999

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (CID 90036215) is 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is COc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The InChIKey is DRICTVIAMIAFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-16-9-13(11-21)10-17(14-3-5-15(25-2)6-4-14)19(16)23-8-7-22-20(24)18(12)23/h3-6,9-10H,7-8H2,1-2H3,(H,22,24).
What are the key properties of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is sourced from PubChem (CID 90036215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).