1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

C26H27N3O4 — CID 55579263

IUPAC1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCn4cccc4C3c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C26H27N3O4/c1-32-22-11-10-20(16-23(22)33-2)29-17-19(15-24(29)30)26(31)28-14-13-27-12-6-9-21(27)25(28)18-7-4-3-5-8-18/h3-12,16,19,25H,13-15,17H2,1-2H3
InChIKeyPXFUXLOPSIISIK-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.49
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one (PubChem CID 55579263) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
PubChem CID55579263
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCn4cccc4C3c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C26H27N3O4/c1-32-22-11-10-20(16-23(22)33-2)29-17-19(15-24(29)30)26(31)28-14-13-27-12-6-9-21(27)25(28)18-7-4-3-5-8-18/h3-12,16,19,25H,13-15,17H2,1-2H3
InChIKeyPXFUXLOPSIISIK-UHFFFAOYSA-N
XLogP3.49
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994461
1-(3,4-difluorophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994474
1-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994541
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(4S)-1-(3-chlorophenyl)-4-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]pyrrolidin-2-one
CID 37445764
1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 47023982
(1S)-N-benzyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387592
N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 46576773
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 51724484
(Z)-1-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 94045565
(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one (CID 55579263) is 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCn4cccc4C3c3ccccc3)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
The InChIKey is PXFUXLOPSIISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-22-11-10-20(16-23(22)33-2)29-17-19(15-24(29)30)26(31)28-14-13-27-12-6-9-21(27)25(28)18-7-4-3-5-8-18/h3-12,16,19,25H,13-15,17H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 55579263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).