(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H29N3O2 — CID 92704215

IUPAC(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O2/c1-17-12-18(2)14-21(13-17)29-24(30)23-15-19-8-4-7-11-22(19)28(23)16-26(29,3)25(31)27-20-9-5-6-10-20/h4,7-8,11-15,20H,5-6,9-10,16H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyWHMFEWXOYOXIFV-SANMLTNESA-N
MW415.54 g/mol
LogP4.74
Rot. Bonds3

About (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92704215) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92704215
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O2/c1-17-12-18(2)14-21(13-17)29-24(30)23-15-19-8-4-7-11-22(19)28(23)16-26(29,3)25(31)27-20-9-5-6-10-20/h4,7-8,11-15,20H,5-6,9-10,16H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyWHMFEWXOYOXIFV-SANMLTNESA-N
XLogP4.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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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-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)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704220
N-cyclopentyl-2-(4-ethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756850
(3R)-2-(1,3-benzodioxol-5-yl)-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903622
(3R)-N-cyclooctyl-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704359
(3R)-N-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704301
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92704215) is (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is WHMFEWXOYOXIFV-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17-12-18(2)14-21(13-17)29-24(30)23-15-19-8-4-7-11-22(19)28(23)16-26(29,3)25(31)27-20-9-5-6-10-20/h4,7-8,11-15,20H,5-6,9-10,16H2,1-3H3,(H,27,31)/t26-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92704215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).