6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C23H21N7O3 — CID 121058557

IUPAC6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C23H21N7O3/c31-22-9-7-19(20-5-3-15-33-20)27-30(22)16-23(32)29-13-11-28(12-14-29)21-8-6-18(25-26-21)17-4-1-2-10-24-17/h1-10,15H,11-14,16H2
InChIKeyAEKSXBHORJBINE-UHFFFAOYSA-N
MW443.47 g/mol
LogP1.70
Rot. Bonds5

About 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 121058557) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID121058557
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C23H21N7O3/c31-22-9-7-19(20-5-3-15-33-20)27-30(22)16-23(32)29-13-11-28(12-14-29)21-8-6-18(25-26-21)17-4-1-2-10-24-17/h1-10,15H,11-14,16H2
InChIKeyAEKSXBHORJBINE-UHFFFAOYSA-N
XLogP1.70
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121058782
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 41233208
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
2-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 56723869
5-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121058483
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121058794

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 121058557) is 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is AEKSXBHORJBINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c31-22-9-7-19(20-5-3-15-33-20)27-30(22)16-23(32)29-13-11-28(12-14-29)21-8-6-18(25-26-21)17-4-1-2-10-24-17/h1-10,15H,11-14,16H2.
What are the key properties of 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 443.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 121058557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).