ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate

C20H25N3O3 — CID 43994582

IUPACethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCn2cccc2C1c1ccc(C)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-18(24)10-11-21-20(25)23-14-13-22-12-4-5-17(22)19(23)16-8-6-15(2)7-9-16/h4-9,12,19H,3,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyWIDXSRJOACOFTM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.86
Rot. Bonds5

About ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate

ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate (PubChem CID 43994582) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
PubChem CID43994582
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCn2cccc2C1c1ccc(C)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-18(24)10-11-21-20(25)23-14-13-22-12-4-5-17(22)19(23)16-8-6-15(2)7-9-16/h4-9,12,19H,3,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyWIDXSRJOACOFTM-UHFFFAOYSA-N
XLogP2.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate 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

ethyl 3-[[(1R)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589655
ethyl 3-[[(1S)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589706
ethyl 3-[[(1R)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589619
ethyl 3-[[(1R)-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589492
ethyl 3-[[(1R)-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589817
ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
CID 4125081
(1R)-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589895
N-(2-methoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4060887
1-[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylpropylamino)ethanone
CID 42782363
(1S)-1-(4-bromophenyl)-N-(2-chloroethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589603
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387626

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate (CID 43994582) is ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)N1CCn2cccc2C1c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate?
The InChIKey is WIDXSRJOACOFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-26-18(24)10-11-21-20(25)23-14-13-22-12-4-5-17(22)19(23)16-8-6-15(2)7-9-16/h4-9,12,19H,3,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate?
ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate has a molecular weight of 355.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 43994582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).