N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide

C28H39N3O3 — CID 42796137

IUPACN-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCOCCN(CC(=O)N1CCn2cccc2C1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCC1
InChIInChI=1S/C28H39N3O3/c1-28(2,3)23-13-11-21(12-14-23)26-24-10-7-15-29(24)16-17-31(26)25(32)20-30(18-19-34-4)27(33)22-8-5-6-9-22/h7,10-15,22,26H,5-6,8-9,16-20H2,1-4H3
InChIKeyDFRICTOQVBPUIV-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide

N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide (PubChem CID 42796137) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
PubChem CID42796137
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCOCCN(CC(=O)N1CCn2cccc2C1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCC1
InChIInChI=1S/C28H39N3O3/c1-28(2,3)23-13-11-21(12-14-23)26-24-10-7-15-29(24)16-17-31(26)25(32)20-30(18-19-34-4)27(33)22-8-5-6-9-22/h7,10-15,22,26H,5-6,8-9,16-20H2,1-4H3
InChIKeyDFRICTOQVBPUIV-UHFFFAOYSA-N
XLogP4.38
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide with MolForge

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Related Compounds

N-[2-[(1S)-1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide
CID 93116400
4-tert-butyl-N-(2-methoxyethyl)-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]benzamide
CID 3645860
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
1-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3886767
3-(2,4-difluorophenyl)-1-[2-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
CID 92933344
3-benzyl-1-(2-methoxyethyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 4119078
N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 11922831
3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 3492496
1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 3708763
N-ethyl-2-methoxy-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]acetamide
CID 42813720
3-benzyl-1-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
CID 4653612
3-tert-butyl-1-ethyl-1-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 93305363

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide (CID 42796137) is N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide is COCCN(CC(=O)N1CCn2cccc2C1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The InChIKey is DFRICTOQVBPUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-28(2,3)23-13-11-21(12-14-23)26-24-10-7-15-29(24)16-17-31(26)25(32)20-30(18-19-34-4)27(33)22-8-5-6-9-22/h7,10-15,22,26H,5-6,8-9,16-20H2,1-4H3.
What are the key properties of N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide has a molecular weight of 465.64 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide is sourced from PubChem (CID 42796137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).