2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide

C23H29N3O4 — CID 71219893

IUPAC2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
SMILESCCCCn1c(C(=O)NC2CCCC2)cn2c(cc3c(OC)ccc(OC)c32)c1=O
InChIInChI=1S/C23H29N3O4/c1-4-5-12-25-18(22(27)24-15-8-6-7-9-15)14-26-17(23(25)28)13-16-19(29-2)10-11-20(30-3)21(16)26/h10-11,13-15H,4-9,12H2,1-3H3,(H,24,27)
InChIKeyZBQYSTAJEMLNDE-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.74
Rot. Bonds7

About 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide

2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide (PubChem CID 71219893) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
PubChem CID71219893
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
SMILESCCCCn1c(C(=O)NC2CCCC2)cn2c(cc3c(OC)ccc(OC)c32)c1=O
InChIInChI=1S/C23H29N3O4/c1-4-5-12-25-18(22(27)24-15-8-6-7-9-15)14-26-17(23(25)28)13-16-19(29-2)10-11-20(30-3)21(16)26/h10-11,13-15H,4-9,12H2,1-3H3,(H,24,27)
InChIKeyZBQYSTAJEMLNDE-UHFFFAOYSA-N
XLogP3.74
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71220178
2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71219888
2-(3-ethoxypropyl)-6,9-dimethoxy-N-(2-methylhexan-3-yl)-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71220177
N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71219770
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523447
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679672
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172198

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide (CID 71219893) is 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide is CCCCn1c(C(=O)NC2CCCC2)cn2c(cc3c(OC)ccc(OC)c32)c1=O.
What is the InChIKey of 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is ZBQYSTAJEMLNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-5-12-25-18(22(27)24-15-8-6-7-9-15)14-26-17(23(25)28)13-16-19(29-2)10-11-20(30-3)21(16)26/h10-11,13-15H,4-9,12H2,1-3H3,(H,24,27).
What are the key properties of 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 71219893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).