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

C26H29N3O4 — CID 50756865

IUPACN-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(OC)c(N2C(=O)c3cc4ccccc4n3CC2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O4/c1-26(25(31)27-18-9-5-6-10-18)16-28-20-11-7-4-8-17(20)14-22(28)24(30)29(26)21-15-19(32-2)12-13-23(21)33-3/h4,7-8,11-15,18H,5-6,9-10,16H2,1-3H3,(H,27,31)
InChIKeyAGTRRSJEKPUQOB-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.14
Rot. Bonds5

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

N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756865) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756865
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(OC)c(N2C(=O)c3cc4ccccc4n3CC2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O4/c1-26(25(31)27-18-9-5-6-10-18)16-28-20-11-7-4-8-17(20)14-22(28)24(30)29(26)21-15-19(32-2)12-13-23(21)33-3/h4,7-8,11-15,18H,5-6,9-10,16H2,1-3H3,(H,27,31)
InChIKeyAGTRRSJEKPUQOB-UHFFFAOYSA-N
XLogP4.14
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopentyl-2-(2,4-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739676
N-cyclohexyl-7-methoxy-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756857
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756837
(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403
(3R)-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704124
N-cyclopentyl-2-(4-ethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756850
N-cyclooctyl-2-(2,3-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523417
(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739833
N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523425
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892
(3R)-N-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756865) is N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc(OC)c(N2C(=O)c3cc4ccccc4n3CC2(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is AGTRRSJEKPUQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-26(25(31)27-18-9-5-6-10-18)16-28-20-11-7-4-8-17(20)14-22(28)24(30)29(26)21-15-19(32-2)12-13-23(21)33-3/h4,7-8,11-15,18H,5-6,9-10,16H2,1-3H3,(H,27,31).
What are the key properties of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).