1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C26H27BrN4O4 — CID 43994461

IUPAC1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(N2CC(NC(=O)N3CCn4cccc4C3c3ccc(Br)cc3)CC2=O)cc1OC
InChIInChI=1S/C26H27BrN4O4/c1-34-22-10-9-20(15-23(22)35-2)31-16-19(14-24(31)32)28-26(33)30-13-12-29-11-3-4-21(29)25(30)17-5-7-18(27)8-6-17/h3-11,15,19,25H,12-14,16H2,1-2H3,(H,28,33)
InChIKeyPZZUNQWXMLXHNF-UHFFFAOYSA-N
MW539.43 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 43994461) has the molecular formula C26H27BrN4O4 and a molecular weight of 539.43 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID43994461
Molecular FormulaC26H27BrN4O4
Molecular Weight539.43 g/mol
Exact Mass538.12
IUPAC Name1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(N2CC(NC(=O)N3CCn4cccc4C3c3ccc(Br)cc3)CC2=O)cc1OC
InChIInChI=1S/C26H27BrN4O4/c1-34-22-10-9-20(15-23(22)35-2)31-16-19(14-24(31)32)28-26(33)30-13-12-29-11-3-4-21(29)25(30)17-5-7-18(27)8-6-17/h3-11,15,19,25H,12-14,16H2,1-2H3,(H,28,33)
InChIKeyPZZUNQWXMLXHNF-UHFFFAOYSA-N
XLogP4.19
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

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
1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994584
1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 55579263
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994587
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994442
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994596
(1R)-1-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546461
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7552386
N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580546

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 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) is 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1ccc(N2CC(NC(=O)N3CCn4cccc4C3c3ccc(Br)cc3)CC2=O)cc1OC.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PZZUNQWXMLXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O4/c1-34-22-10-9-20(15-23(22)35-2)31-16-19(14-24(31)32)28-26(33)30-13-12-29-11-3-4-21(29)25(30)17-5-7-18(27)8-6-17/h3-11,15,19,25H,12-14,16H2,1-2H3,(H,28,33).
What are the key properties of 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 539.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 43994461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).