N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide

C23H29N3O2 — CID 11922831

IUPACN-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide
SMILESCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(C)c1)C(=O)C1CCC1
InChIInChI=1S/C23H29N3O2/c1-3-24(23(28)18-8-5-9-18)16-21(27)26-14-13-25-12-6-11-20(25)22(26)19-10-4-7-17(2)15-19/h4,6-7,10-12,15,18,22H,3,5,8-9,13-14,16H2,1-2H3/t22-/m0/s1
InChIKeyYTUJZJYYTJKWPX-QFIPXVFZSA-N
MW379.50 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide

N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 11922831) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID11922831
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide
SMILESCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(C)c1)C(=O)C1CCC1
InChIInChI=1S/C23H29N3O2/c1-3-24(23(28)18-8-5-9-18)16-21(27)26-14-13-25-12-6-11-20(25)22(26)19-10-4-7-17(2)15-19/h4,6-7,10-12,15,18,22H,3,5,8-9,13-14,16H2,1-2H3/t22-/m0/s1
InChIKeyYTUJZJYYTJKWPX-QFIPXVFZSA-N
XLogP3.38
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
CID 24711887
3-chloro-N-ethyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]benzamide
CID 42797998
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
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
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
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3343131
3-tert-butyl-1-[2-[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-ethylurea
CID 93304570
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526
1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[(1R)-1-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 98439828
1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 42813096
N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide
CID 93304963
(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 93115169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide (CID 11922831) is N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide is CCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(C)c1)C(=O)C1CCC1.
What is the InChIKey of N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is YTUJZJYYTJKWPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-24(23(28)18-8-5-9-18)16-21(27)26-14-13-25-12-6-11-20(25)22(26)19-10-4-7-17(2)15-19/h4,6-7,10-12,15,18,22H,3,5,8-9,13-14,16H2,1-2H3/t22-/m0/s1.
What are the key properties of N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 11922831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).