1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one

C20H21BrN4O4 — CID 90636858

IUPAC1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)C1
InChIInChI=1S/C20H21BrN4O4/c1-28-18-19(23-7-6-22-18)29-16-5-8-24(12-16)20(27)13-9-17(26)25(11-13)15-4-2-3-14(21)10-15/h2-4,6-7,10,13,16H,5,8-9,11-12H2,1H3
InChIKeyLJNMNBBUAAFMEZ-UHFFFAOYSA-N
MW461.32 g/mol
LogP2.28
Rot. Bonds5

About 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90636858) has the molecular formula C20H21BrN4O4 and a molecular weight of 461.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90636858
Molecular FormulaC20H21BrN4O4
Molecular Weight461.32 g/mol
Exact Mass460.07
IUPAC Name1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)C1
InChIInChI=1S/C20H21BrN4O4/c1-28-18-19(23-7-6-22-18)29-16-5-8-24(12-16)20(27)13-9-17(26)25(11-13)15-4-2-3-14(21)10-15/h2-4,6-7,10,13,16H,5,8-9,11-12H2,1H3
InChIKeyLJNMNBBUAAFMEZ-UHFFFAOYSA-N
XLogP2.28
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
CID 122250750
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636596
4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122249987
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780411
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 90636858) is 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)C1.
What is the InChIKey of 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is LJNMNBBUAAFMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O4/c1-28-18-19(23-7-6-22-18)29-16-5-8-24(12-16)20(27)13-9-17(26)25(11-13)15-4-2-3-14(21)10-15/h2-4,6-7,10,13,16H,5,8-9,11-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 461.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90636858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).