2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

C23H27N3O3 — CID 20861674

IUPAC2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCC(=O)c1cccc(N2C(=O)Cn3cccc3C2C(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-15-8-10-18(11-9-15)24-23(29)22-20-7-4-12-25(20)14-21(28)26(22)19-6-3-5-17(13-19)16(2)27/h3-7,12-13,15,18,22H,8-11,14H2,1-2H3,(H,24,29)
InChIKeyMLEASMKBIGYZFU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 20861674) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID20861674
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCC(=O)c1cccc(N2C(=O)Cn3cccc3C2C(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-15-8-10-18(11-9-15)24-23(29)22-20-7-4-12-25(20)14-21(28)26(22)19-6-3-5-17(13-19)16(2)27/h3-7,12-13,15,18,22H,8-11,14H2,1-2H3,(H,24,29)
InChIKeyMLEASMKBIGYZFU-UHFFFAOYSA-N
XLogP3.47
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 20861674) is 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is CC(=O)c1cccc(N2C(=O)Cn3cccc3C2C(=O)NC2CCC(C)CC2)c1.
What is the InChIKey of 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is MLEASMKBIGYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-8-10-18(11-9-15)24-23(29)22-20-7-4-12-25(20)14-21(28)26(22)19-6-3-5-17(13-19)16(2)27/h3-7,12-13,15,18,22H,8-11,14H2,1-2H3,(H,24,29).
What are the key properties of 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 20861674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).