(2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol

C24H28N4O5 — CID 42630940

IUPAC(2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
SMILESCOc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C24H28N4O5/c1-15-7-9-16(10-8-15)19-12-18(11-17-5-3-4-6-22(17)33-2)24(28-26-19)27-25-13-20(30)23(32)21(31)14-29/h3-10,12-13,20-21,23,29-32H,11,14H2,1-2H3,(H,27,28)/b25-13+/t20-,21-,23+/m1/s1
InChIKeyWAPPORWFQQGMEP-LRGHOVPJSA-N
MW452.51 g/mol
LogP1.52
Rot. Bonds10

About (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol

(2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol (PubChem CID 42630940) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
PubChem CID42630940
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name(2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
SMILESCOc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C24H28N4O5/c1-15-7-9-16(10-8-15)19-12-18(11-17-5-3-4-6-22(17)33-2)24(28-26-19)27-25-13-20(30)23(32)21(31)14-29/h3-10,12-13,20-21,23,29-32H,11,14H2,1-2H3,(H,27,28)/b25-13+/t20-,21-,23+/m1/s1
InChIKeyWAPPORWFQQGMEP-LRGHOVPJSA-N
XLogP1.52
TPSA140.32 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol (CID 42630940) is (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol is COc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
The InChIKey is WAPPORWFQQGMEP-LRGHOVPJSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-15-7-9-16(10-8-15)19-12-18(11-17-5-3-4-6-22(17)33-2)24(28-26-19)27-25-13-20(30)23(32)21(31)14-29/h3-10,12-13,20-21,23,29-32H,11,14H2,1-2H3,(H,27,28)/b25-13+/t20-,21-,23+/m1/s1.
What are the key properties of (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
(2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol has a molecular weight of 452.51 g/mol, XLogP of 1.52, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5E)-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 42630940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).