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

C26H29N3O2 — CID 92704220

IUPAC(3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O2/c1-3-18-9-8-13-21(15-18)29-24(30)23-16-19-10-4-7-14-22(19)28(23)17-26(29,2)25(31)27-20-11-5-6-12-20/h4,7-10,13-16,20H,3,5-6,11-12,17H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyMSRJJWVIDSGYAT-AREMUKBSSA-N
MW415.54 g/mol
LogP4.68
Rot. Bonds4

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

(3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92704220) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92704220
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O2/c1-3-18-9-8-13-21(15-18)29-24(30)23-16-19-10-4-7-14-22(19)28(23)17-26(29,2)25(31)27-20-11-5-6-12-20/h4,7-10,13-16,20H,3,5-6,11-12,17H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyMSRJJWVIDSGYAT-AREMUKBSSA-N
XLogP4.68
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(3R)-N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739684
N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756840
(3R)-N-cyclooctyl-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704359
(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704215
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704301
N-cyclopentyl-2-(4-ethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756850
(3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903624
(3R)-2-(1,3-benzodioxol-5-yl)-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903622
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922
(3R)-N-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92704220) is (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is MSRJJWVIDSGYAT-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-18-9-8-13-21(15-18)29-24(30)23-16-19-10-4-7-14-22(19)28(23)17-26(29,2)25(31)27-20-11-5-6-12-20/h4,7-10,13-16,20H,3,5-6,11-12,17H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92704220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).