(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C24H32N4O3 — CID 92886515

IUPAC(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@]2(C)Cn3c(nc4ccccc43)C(=O)N2C[C@@H]2CCCO2)CC1
InChIInChI=1S/C24H32N4O3/c1-16-9-11-17(12-10-16)25-23(30)24(2)15-27-20-8-4-3-7-19(20)26-21(27)22(29)28(24)14-18-6-5-13-31-18/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,25,30)/t16?,17?,18-,24+/m0/s1
InChIKeyRUGLLDWGQKJHMT-QMYWCCRTSA-N
MW424.55 g/mol
LogP3.12
Rot. Bonds4

About (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92886515) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID92886515
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@]2(C)Cn3c(nc4ccccc43)C(=O)N2C[C@@H]2CCCO2)CC1
InChIInChI=1S/C24H32N4O3/c1-16-9-11-17(12-10-16)25-23(30)24(2)15-27-20-8-4-3-7-19(20)26-21(27)22(29)28(24)14-18-6-5-13-31-18/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,25,30)/t16?,17?,18-,24+/m0/s1
InChIKeyRUGLLDWGQKJHMT-QMYWCCRTSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757197
(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
2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 53298933
3-methyl-2-(3-methylbutyl)-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553608
(3S)-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740755
(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740488
(3S)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740499
3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(2-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757216
(3S)-2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 93072914
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274268
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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 92886515) is (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CC1CCC(NC(=O)[C@@]2(C)Cn3c(nc4ccccc43)C(=O)N2C[C@@H]2CCCO2)CC1.
What is the InChIKey of (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is RUGLLDWGQKJHMT-QMYWCCRTSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-9-11-17(12-10-16)25-23(30)24(2)15-27-20-8-4-3-7-19(20)26-21(27)22(29)28(24)14-18-6-5-13-31-18/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,25,30)/t16?,17?,18-,24+/m0/s1.
What are the key properties of (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92886515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).