(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C17H19BrN4O2 — CID 91914160

IUPAC(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1nccnc1OC1CCN(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C17H19BrN4O2/c1-21(2)15-16(20-9-8-19-15)24-12-7-10-22(11-12)17(23)13-5-3-4-6-14(13)18/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyYTOIMCJRLHBKLD-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.60
Rot. Bonds4

About (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 91914160) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
PubChem CID91914160
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1nccnc1OC1CCN(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C17H19BrN4O2/c1-21(2)15-16(20-9-8-19-15)24-12-7-10-22(11-12)17(23)13-5-3-4-6-14(13)18/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyYTOIMCJRLHBKLD-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
CID 100658231
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91914172
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-[2-(difluoromethylsulfanyl)phenyl]methanone
CID 129416252
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129476096
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 91914160) is (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is CN(C)c1nccnc1OC1CCN(C(=O)c2ccccc2Br)C1.
What is the InChIKey of (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is YTOIMCJRLHBKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-21(2)15-16(20-9-8-19-15)24-12-7-10-22(11-12)17(23)13-5-3-4-6-14(13)18/h3-6,8-9,12H,7,10-11H2,1-2H3.
What are the key properties of (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 391.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91914160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).