2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one

C26H32N6O3 — CID 46283288

IUPAC2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
SMILESCCN1CCN(C(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)CC1
InChIInChI=1S/C26H32N6O3/c1-2-28-12-14-31(15-13-28)26(34)23-9-8-22(35-23)20-32-25(33)11-10-24(27-32)30-18-16-29(17-19-30)21-6-4-3-5-7-21/h3-11H,2,12-20H2,1H3
InChIKeyPGXAXFQFIOHHBE-UHFFFAOYSA-N
MW476.58 g/mol
LogP1.99
Rot. Bonds6

About 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one

2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one (PubChem CID 46283288) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
PubChem CID46283288
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
SMILESCCN1CCN(C(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)CC1
InChIInChI=1S/C26H32N6O3/c1-2-28-12-14-31(15-13-28)26(34)23-9-8-22(35-23)20-32-25(33)11-10-24(27-32)30-18-16-29(17-19-30)21-6-4-3-5-7-21/h3-11H,2,12-20H2,1H3
InChIKeyPGXAXFQFIOHHBE-UHFFFAOYSA-N
XLogP1.99
TPSA78.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one with MolForge

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Related Compounds

N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283292
N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283267
N-[(3-methoxyphenyl)methyl]-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283277
6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 20934609
N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283308
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52901373
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
CID 134024324
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one (CID 46283288) is 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one is CCN1CCN(C(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)CC1.
What is the InChIKey of 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is PGXAXFQFIOHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-2-28-12-14-31(15-13-28)26(34)23-9-8-22(35-23)20-32-25(33)11-10-24(27-32)30-18-16-29(17-19-30)21-6-4-3-5-7-21/h3-11H,2,12-20H2,1H3.
What are the key properties of 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one?
2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 476.58 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 46283288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).