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

C26H28N4O2 — CID 43994584

IUPAC1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(C2c3cccn3CCN2C(=O)NC2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H28N4O2/c1-18-5-9-20(10-6-18)25-23-4-3-13-28(23)14-15-29(25)26(32)27-21-16-24(31)30(17-21)22-11-7-19(2)8-12-22/h3-13,21,25H,14-17H2,1-2H3,(H,27,32)
InChIKeyWSIGGDQILOPOSF-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.03
Rot. Bonds3

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

1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 43994584) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID43994584
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(C2c3cccn3CCN2C(=O)NC2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H28N4O2/c1-18-5-9-20(10-6-18)25-23-4-3-13-28(23)14-15-29(25)26(32)27-21-16-24(31)30(17-21)22-11-7-19(2)8-12-22/h3-13,21,25H,14-17H2,1-2H3,(H,27,32)
InChIKeyWSIGGDQILOPOSF-UHFFFAOYSA-N
XLogP4.03
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
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
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
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
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
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994491
(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387626
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
1-(4-methylphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810920

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 43994584) is 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc(C2c3cccn3CCN2C(=O)NC2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WSIGGDQILOPOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-5-9-20(10-6-18)25-23-4-3-13-28(23)14-15-29(25)26(32)27-21-16-24(31)30(17-21)22-11-7-19(2)8-12-22/h3-13,21,25H,14-17H2,1-2H3,(H,27,32).
What are the key properties of 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 43994584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).