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

C24H28N4O6 — CID 42630941

IUPAC(2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
SMILESCOc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)nn2)cc1
InChIInChI=1S/C24H28N4O6/c1-33-18-9-7-15(8-10-18)19-12-17(11-16-5-3-4-6-22(16)34-2)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
InChIKeyKEHZSAITUYTMLM-LRGHOVPJSA-N
MW468.51 g/mol
LogP1.22
Rot. Bonds11

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

(2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol (PubChem CID 42630941) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
PubChem CID42630941
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name(2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
SMILESCOc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)nn2)cc1
InChIInChI=1S/C24H28N4O6/c1-33-18-9-7-15(8-10-18)19-12-17(11-16-5-3-4-6-22(16)34-2)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
InChIKeyKEHZSAITUYTMLM-LRGHOVPJSA-N
XLogP1.22
TPSA149.55 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol (CID 42630941) is (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol is COc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)nn2)cc1.
What is the InChIKey of (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
The InChIKey is KEHZSAITUYTMLM-LRGHOVPJSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-33-18-9-7-15(8-10-18)19-12-17(11-16-5-3-4-6-22(16)34-2)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-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol?
(2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol has a molecular weight of 468.51 g/mol, XLogP of 1.22, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5E)-5-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 42630941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).