(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C17H20BrN5O2 — CID 7292373

IUPAC(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H20BrN5O2/c18-14-4-3-13(25-14)17(24)23-11-9-22(10-12-23)16-6-5-15(19-20-16)21-7-1-2-8-21/h3-6H,1-2,7-12H2
InChIKeyJZEZDUSZPCTSET-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.39
Rot. Bonds3

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

(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292373) has the molecular formula C17H20BrN5O2 and a molecular weight of 406.28 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292373
Molecular FormulaC17H20BrN5O2
Molecular Weight406.28 g/mol
Exact Mass405.08
IUPAC Name(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H20BrN5O2/c18-14-4-3-13(25-14)17(24)23-11-9-22(10-12-23)16-6-5-15(19-20-16)21-7-1-2-8-21/h3-6H,1-2,7-12H2
InChIKeyJZEZDUSZPCTSET-UHFFFAOYSA-N
XLogP2.39
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
6-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081418
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CID 25223717
(5-bromofuran-2-yl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91914489
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 30867934
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292373) is (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is JZEZDUSZPCTSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O2/c18-14-4-3-13(25-14)17(24)23-11-9-22(10-12-23)16-6-5-15(19-20-16)21-7-1-2-8-21/h3-6H,1-2,7-12H2.
What are the key properties of (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 406.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).