(6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol

C25H30N4O7 — CID 45269519

IUPAC(6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESCOc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/C(O)C(O)C(O)C(O)CO)nn2)cc1
InChIInChI=1S/C25H30N4O7/c1-35-18-9-7-15(8-10-18)19-12-17(11-16-5-3-4-6-22(16)36-2)25(29-27-19)28-26-13-20(31)23(33)24(34)21(32)14-30/h3-10,12-13,20-21,23-24,30-34H,11,14H2,1-2H3,(H,28,29)/b26-13+
InChIKeyNSZQOYJTIQTYRV-LGJNPRDNSA-N
MW498.54 g/mol
LogP0.59
Rot. Bonds12

About (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol

(6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol (PubChem CID 45269519) has the molecular formula C25H30N4O7 and a molecular weight of 498.54 g/mol. Its IUPAC name is (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
PubChem CID45269519
Molecular FormulaC25H30N4O7
Molecular Weight498.54 g/mol
Exact Mass498.21
IUPAC Name(6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESCOc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/C(O)C(O)C(O)C(O)CO)nn2)cc1
InChIInChI=1S/C25H30N4O7/c1-35-18-9-7-15(8-10-18)19-12-17(11-16-5-3-4-6-22(16)36-2)25(29-27-19)28-26-13-20(31)23(33)24(34)21(32)14-30/h3-10,12-13,20-21,23-24,30-34H,11,14H2,1-2H3,(H,28,29)/b26-13+
InChIKeyNSZQOYJTIQTYRV-LGJNPRDNSA-N
XLogP0.59
TPSA169.78 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500498.54
LogP ≤ 50.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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 (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
The IUPAC name of (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol (CID 45269519) is (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol is COc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/C(O)C(O)C(O)C(O)CO)nn2)cc1.
What is the InChIKey of (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
The InChIKey is NSZQOYJTIQTYRV-LGJNPRDNSA-N. The full InChI is InChI=1S/C25H30N4O7/c1-35-18-9-7-15(8-10-18)19-12-17(11-16-5-3-4-6-22(16)36-2)25(29-27-19)28-26-13-20(31)23(33)24(34)21(32)14-30/h3-10,12-13,20-21,23-24,30-34H,11,14H2,1-2H3,(H,28,29)/b26-13+.
What are the key properties of (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
(6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol has a molecular weight of 498.54 g/mol, XLogP of 0.59, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 45269519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).