carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium

C23H28FN2O2Y- — CID 161471027

IUPACcarbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
SMILESCC.CCn1nc(Cc2ccccc2F)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C20H19FN2O2.C2H6.CH3.Y/c1-3-23-20(25)18(15-10-6-4-8-13(15)2)19(24)17(22-23)12-14-9-5-7-11-16(14)21;1-2;;/h4-11,24H,3,12H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyAVRDKCIPLBRJLP-UHFFFAOYSA-N
MW472.39 g/mol
LogP5.15
Rot. Bonds4

About carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium

carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium (PubChem CID 161471027) has the molecular formula C23H28FN2O2Y- and a molecular weight of 472.39 g/mol. Its IUPAC name is carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
PubChem CID161471027
Molecular FormulaC23H28FN2O2Y-
Molecular Weight472.39 g/mol
Exact Mass472.12
IUPAC Namecarbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
SMILESCC.CCn1nc(Cc2ccccc2F)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C20H19FN2O2.C2H6.CH3.Y/c1-3-23-20(25)18(15-10-6-4-8-13(15)2)19(24)17(22-23)12-14-9-5-7-11-16(14)21;1-2;;/h4-11,24H,3,12H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyAVRDKCIPLBRJLP-UHFFFAOYSA-N
XLogP5.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400764
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
6-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400732
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 59400740
carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159206406
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
CID 158470656
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
CID 58092178

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The IUPAC name of carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium (CID 161471027) is carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium.
What is the SMILES notation for carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The canonical SMILES for carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium is CC.CCn1nc(Cc2ccccc2F)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The InChIKey is AVRDKCIPLBRJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2.C2H6.CH3.Y/c1-3-23-20(25)18(15-10-6-4-8-13(15)2)19(24)17(22-23)12-14-9-5-7-11-16(14)21;1-2;;/h4-11,24H,3,12H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium has a molecular weight of 472.39 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium is sourced from PubChem (CID 161471027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).