1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C24H22N4O3 — CID 121060205

IUPAC1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)nn2)cc1
InChIInChI=1S/C24H22N4O3/c1-30-19-8-6-17(7-9-19)20-10-11-23(26-25-20)27-12-14-28(15-13-27)24(29)22-16-18-4-2-3-5-21(18)31-22/h2-11,16H,12-15H2,1H3
InChIKeyUZIYFTREQKRUJT-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.86
Rot. Bonds4

About 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121060205) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121060205
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)nn2)cc1
InChIInChI=1S/C24H22N4O3/c1-30-19-8-6-17(7-9-19)20-10-11-23(26-25-20)27-12-14-28(15-13-27)24(29)22-16-18-4-2-3-5-21(18)31-22/h2-11,16H,12-15H2,1H3
InChIKeyUZIYFTREQKRUJT-UHFFFAOYSA-N
XLogP3.86
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 90517016
1-benzofuran-2-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346598
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 46404918
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121060205) is 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is COc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)nn2)cc1.
What is the InChIKey of 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is UZIYFTREQKRUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-30-19-8-6-17(7-9-19)20-10-11-23(26-25-20)27-12-14-28(15-13-27)24(29)22-16-18-4-2-3-5-21(18)31-22/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 414.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121060205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).