(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C17H16BrN5O3 — CID 121163085

IUPAC(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C17H16BrN5O3/c18-14-3-2-13(26-14)17(24)22-10-6-12(7-11-22)25-16-5-4-15(20-21-16)23-9-1-8-19-23/h1-5,8-9,12H,6-7,10-11H2
InChIKeyBVWZXLCJMBWXFO-UHFFFAOYSA-N
MW418.25 g/mol
LogP2.70
Rot. Bonds4

About (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 121163085) has the molecular formula C17H16BrN5O3 and a molecular weight of 418.25 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID121163085
Molecular FormulaC17H16BrN5O3
Molecular Weight418.25 g/mol
Exact Mass417.04
IUPAC Name(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C17H16BrN5O3/c18-14-3-2-13(26-14)17(24)22-10-6-12(7-11-22)25-16-5-4-15(20-21-16)23-9-1-8-19-23/h1-5,8-9,12H,6-7,10-11H2
InChIKeyBVWZXLCJMBWXFO-UHFFFAOYSA-N
XLogP2.70
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 121163236
naphthalen-2-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163039
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
(3-fluoro-4-methoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163245
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121162979
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974
N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163177
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 121163085) is (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is BVWZXLCJMBWXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O3/c18-14-3-2-13(26-14)17(24)22-10-6-12(7-11-22)25-16-5-4-15(20-21-16)23-9-1-8-19-23/h1-5,8-9,12H,6-7,10-11H2.
What are the key properties of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 418.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121163085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).