N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C30H35N3O2 — CID 20907883

IUPACN-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C30H35N3O2/c1-3-22-14-16-23(17-15-22)20-33-28(34)27-19-18-26(24-10-6-4-7-11-24)32(27)21-30(33,2)29(35)31-25-12-8-5-9-13-25/h4,6-7,10-11,14-19,25H,3,5,8-9,12-13,20-21H2,1-2H3,(H,31,35)
InChIKeyXMLVMGBLYJWRAX-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.58
Rot. Bonds6

About N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 20907883) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID20907883
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C30H35N3O2/c1-3-22-14-16-23(17-15-22)20-33-28(34)27-19-18-26(24-10-6-4-7-11-24)32(27)21-30(33,2)29(35)31-25-12-8-5-9-13-25/h4,6-7,10-11,14-19,25H,3,5,8-9,12-13,20-21H2,1-2H3,(H,31,35)
InChIKeyXMLVMGBLYJWRAX-UHFFFAOYSA-N
XLogP5.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 20907883) is N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3CC2(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is XMLVMGBLYJWRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-3-22-14-16-23(17-15-22)20-33-28(34)27-19-18-26(24-10-6-4-7-11-24)32(27)21-30(33,2)29(35)31-25-12-8-5-9-13-25/h4,6-7,10-11,14-19,25H,3,5,8-9,12-13,20-21H2,1-2H3,(H,31,35).
What are the key properties of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 20907883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).