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

C29H31N3O2 — CID 71172198

IUPACN-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCc1ccc(Cn2c(C(=O)NC3CCCCC3)cn3c(-c4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C29H31N3O2/c1-2-21-13-15-22(16-14-21)19-32-27(28(33)30-24-11-7-4-8-12-24)20-31-25(17-18-26(31)29(32)34)23-9-5-3-6-10-23/h3,5-6,9-10,13-18,20,24H,2,4,7-8,11-12,19H2,1H3,(H,30,33)
InChIKeyQMDOKLXTMFSNQD-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.44
Rot. Bonds6

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

N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 71172198) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID71172198
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCc1ccc(Cn2c(C(=O)NC3CCCCC3)cn3c(-c4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C29H31N3O2/c1-2-21-13-15-22(16-14-21)19-32-27(28(33)30-24-11-7-4-8-12-24)20-31-25(17-18-26(31)29(32)34)23-9-5-3-6-10-23/h3,5-6,9-10,13-18,20,24H,2,4,7-8,11-12,19H2,1H3,(H,30,33)
InChIKeyQMDOKLXTMFSNQD-UHFFFAOYSA-N
XLogP5.44
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[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

Related Compounds

N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71219770
N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172246
3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
CID 84576643
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
(3S)-N-cyclopentyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92886627
N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71220178
2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71219893
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 71220152
3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
CID 101258247
N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907899
2-[4-[[2-butyl-6-(cyclohexylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15104377

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide (CID 71172198) is N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide is CCc1ccc(Cn2c(C(=O)NC3CCCCC3)cn3c(-c4ccccc4)ccc3c2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is QMDOKLXTMFSNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-2-21-13-15-22(16-14-21)19-32-27(28(33)30-24-11-7-4-8-12-24)20-31-25(17-18-26(31)29(32)34)23-9-5-3-6-10-23/h3,5-6,9-10,13-18,20,24H,2,4,7-8,11-12,19H2,1H3,(H,30,33).
What are the key properties of N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71172198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).