N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C24H32N4O3 — CID 50757197

IUPACN-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2c(nc3ccccc32)C(=O)N1CC1CCCO1
InChIInChI=1S/C24H32N4O3/c1-24(23(30)25-17-9-4-2-3-5-10-17)16-27-20-13-7-6-12-19(20)26-21(27)22(29)28(24)15-18-11-8-14-31-18/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3,(H,25,30)
InChIKeyYWVUEIBEJTVABM-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.27
Rot. Bonds4

About N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 50757197) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID50757197
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2c(nc3ccccc32)C(=O)N1CC1CCCO1
InChIInChI=1S/C24H32N4O3/c1-24(23(30)25-17-9-4-2-3-5-10-17)16-27-20-13-7-6-12-19(20)26-21(27)22(29)28(24)15-18-11-8-14-31-18/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3,(H,25,30)
InChIKeyYWVUEIBEJTVABM-UHFFFAOYSA-N
XLogP3.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-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

(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92886515
(3S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-methyl-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 129420248
(3S)-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740755
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
N-cyclopentyl-2-[2-(dimethylamino)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274140
N-cyclooctyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553634
N-cyclooctyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553647
N-cycloheptyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274155
(3S)-N-cycloheptyl-3-methyl-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92742115
2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553624
2-[(2-bromophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757064

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 50757197) is N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CC1(C(=O)NC2CCCCCC2)Cn2c(nc3ccccc32)C(=O)N1CC1CCCO1.
What is the InChIKey of N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is YWVUEIBEJTVABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-24(23(30)25-17-9-4-2-3-5-10-17)16-27-20-13-7-6-12-19(20)26-21(27)22(29)28(24)15-18-11-8-14-31-18/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3,(H,25,30).
What are the key properties of N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 50757197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).