ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate

C22H28N2O3 — CID 4125081

IUPACethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCn2cccc2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-27-21(26)12-11-20(25)24-15-14-23-13-5-6-19(23)22(24)18-9-7-17(8-10-18)16(2)3/h5-10,13,16,22H,4,11-12,14-15H2,1-3H3
InChIKeyVHICICIHGOAXBD-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.89
Rot. Bonds6

About ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate

ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate (PubChem CID 4125081) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
PubChem CID4125081
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCn2cccc2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-27-21(26)12-11-20(25)24-15-14-23-13-5-6-19(23)22(24)18-9-7-17(8-10-18)16(2)3/h5-10,13,16,22H,4,11-12,14-15H2,1-3H3
InChIKeyVHICICIHGOAXBD-UHFFFAOYSA-N
XLogP3.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate 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-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 43994582
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
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
3-(4-ethoxyphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1-propan-2-ylurea
CID 4198841
N-(2-methoxyethyl)-N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]benzamide
CID 4691932
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4113838
N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide
CID 92950442
1-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4609321
3-methoxy-N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 42788181
ethyl 3-[[(1R)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589619

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate (CID 4125081) is ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate is CCOC(=O)CCC(=O)N1CCn2cccc2C1c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate?
The InChIKey is VHICICIHGOAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-27-21(26)12-11-20(25)24-15-14-23-13-5-6-19(23)22(24)18-9-7-17(8-10-18)16(2)3/h5-10,13,16,22H,4,11-12,14-15H2,1-3H3.
What are the key properties of ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate?
ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate has a molecular weight of 368.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate is sourced from PubChem (CID 4125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).