(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone

C17H19BrN4O2 — CID 90639547

IUPAC(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)c3ccccc3Br)C2)nn1
InChIInChI=1S/C17H19BrN4O2/c1-21(2)15-7-8-16(20-19-15)24-12-9-10-22(11-12)17(23)13-5-3-4-6-14(13)18/h3-8,12H,9-11H2,1-2H3
InChIKeyIIIPQVFCWBNLNR-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.60
Rot. Bonds4

About (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone

(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 90639547) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
PubChem CID90639547
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)c3ccccc3Br)C2)nn1
InChIInChI=1S/C17H19BrN4O2/c1-21(2)15-7-8-16(20-19-15)24-12-9-10-22(11-12)17(23)13-5-3-4-6-14(13)18/h3-8,12H,9-11H2,1-2H3
InChIKeyIIIPQVFCWBNLNR-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-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634488
3-[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634504
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90639617
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914160
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 90639571
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 90639673
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone (CID 90639547) is (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone is CN(C)c1ccc(OC2CCN(C(=O)c3ccccc3Br)C2)nn1.
What is the InChIKey of (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is IIIPQVFCWBNLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-21(2)15-7-8-16(20-19-15)24-12-9-10-22(11-12)17(23)13-5-3-4-6-14(13)18/h3-8,12H,9-11H2,1-2H3.
What are the key properties of (2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-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-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90639547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).