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

C25H28N4O2 — CID 92740744

IUPAC(3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCCc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-17-12-14-19(15-13-17)29-23(30)22-27-20-10-6-7-11-21(20)28(22)16-25(29,2)24(31)26-18-8-4-5-9-18/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,26,31)/t25-/m1/s1
InChIKeyVPZJXLRDUXAFRF-RUZDIDTESA-N
MW416.53 g/mol
LogP4.08
Rot. Bonds4

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

(3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92740744) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID92740744
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCCc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-17-12-14-19(15-13-17)29-23(30)22-27-20-10-6-7-11-21(20)28(22)16-25(29,2)24(31)26-18-8-4-5-9-18/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,26,31)/t25-/m1/s1
InChIKeyVPZJXLRDUXAFRF-RUZDIDTESA-N
XLogP4.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(3S)-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740755
N-cyclopentyl-2-[2-(dimethylamino)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274140
(3R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740707
N-cyclopentyl-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757161
(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92886540
N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274165
(3S)-N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740841
(3S)-N-cyclopentyl-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740733
(3S)-N-cycloheptyl-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740843
(3S)-2-[(2-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740737
(3S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740773
2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553624

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 92740744) is (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CCc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is VPZJXLRDUXAFRF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-17-12-14-19(15-13-17)29-23(30)22-27-20-10-6-7-11-21(20)28(22)16-25(29,2)24(31)26-18-8-4-5-9-18/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,26,31)/t25-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
(3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-2-(4-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92740744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).