5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one

C28H30N4O4 — CID 25015274

IUPAC5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
SMILESCOc1ccc(CCOc2c(N3CCN(Cc4ccoc4)CC3)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C28H30N4O4/c1-34-25-9-7-22(8-10-25)12-18-36-27-26(19-29-32(28(27)33)24-5-3-2-4-6-24)31-15-13-30(14-16-31)20-23-11-17-35-21-23/h2-11,17,19,21H,12-16,18,20H2,1H3
InChIKeyTVBAADXROKAXJO-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.78
Rot. Bonds9

About 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one

5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one (PubChem CID 25015274) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
PubChem CID25015274
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
SMILESCOc1ccc(CCOc2c(N3CCN(Cc4ccoc4)CC3)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C28H30N4O4/c1-34-25-9-7-22(8-10-25)12-18-36-27-26(19-29-32(28(27)33)24-5-3-2-4-6-24)31-15-13-30(14-16-31)20-23-11-17-35-21-23/h2-11,17,19,21H,12-16,18,20H2,1H3
InChIKeyTVBAADXROKAXJO-UHFFFAOYSA-N
XLogP3.78
TPSA72.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
CID 25015563
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
5-[4-[(2-ethyl-6-methylphenyl)methyl]piperazin-1-yl]-4-(2-methoxyethoxy)-2-phenylpyridazin-3-one
CID 145479481
4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one
CID 159076802
5-[4-[(2-chloro-3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one
CID 70881027
methyl 2-[5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate
CID 36584336
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-[(1-methylcyclopropyl)methoxy]-5-[4-[2-(4-methylphenyl)ethylsulfanyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 118350812
4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 25014606
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione
CID 9325295

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
The IUPAC name of 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one (CID 25015274) is 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one is COc1ccc(CCOc2c(N3CCN(Cc4ccoc4)CC3)cnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
The InChIKey is TVBAADXROKAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-34-25-9-7-22(8-10-25)12-18-36-27-26(19-29-32(28(27)33)24-5-3-2-4-6-24)31-15-13-30(14-16-31)20-23-11-17-35-21-23/h2-11,17,19,21H,12-16,18,20H2,1H3.
What are the key properties of 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one has a molecular weight of 486.57 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 25015274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).