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

C24H27ClN4O6 — CID 42630942

IUPAC(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESCOc1ccccc1Cc1cc(-c2ccc(Cl)cc2)nnc1N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C24H27ClN4O6/c1-35-21-5-3-2-4-15(21)10-16-11-18(14-6-8-17(25)9-7-14)27-29-24(16)28-26-12-19(31)22(33)23(34)20(32)13-30/h2-9,11-12,19-20,22-23,30-34H,10,13H2,1H3,(H,28,29)/b26-12+/t19-,20+,22+,23+/m0/s1
InChIKeyQCEBXJLVNJDARG-GAXLOFATSA-N
MW502.96 g/mol
LogP1.23
Rot. Bonds11

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

(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol (PubChem CID 42630942) has the molecular formula C24H27ClN4O6 and a molecular weight of 502.96 g/mol. Its IUPAC name is (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
PubChem CID42630942
Molecular FormulaC24H27ClN4O6
Molecular Weight502.96 g/mol
Exact Mass502.16
IUPAC Name(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESCOc1ccccc1Cc1cc(-c2ccc(Cl)cc2)nnc1N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C24H27ClN4O6/c1-35-21-5-3-2-4-15(21)10-16-11-18(14-6-8-17(25)9-7-14)27-29-24(16)28-26-12-19(31)22(33)23(34)20(32)13-30/h2-9,11-12,19-20,22-23,30-34H,10,13H2,1H3,(H,28,29)/b26-12+/t19-,20+,22+,23+/m0/s1
InChIKeyQCEBXJLVNJDARG-GAXLOFATSA-N
XLogP1.23
TPSA160.55 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.96
LogP ≤ 51.23
H-Bond Donors ≤ 56
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol (CID 42630942) is (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol is COc1ccccc1Cc1cc(-c2ccc(Cl)cc2)nnc1N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
The InChIKey is QCEBXJLVNJDARG-GAXLOFATSA-N. The full InChI is InChI=1S/C24H27ClN4O6/c1-35-21-5-3-2-4-15(21)10-16-11-18(14-6-8-17(25)9-7-14)27-29-24(16)28-26-12-19(31)22(33)23(34)20(32)13-30/h2-9,11-12,19-20,22-23,30-34H,10,13H2,1H3,(H,28,29)/b26-12+/t19-,20+,22+,23+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol has a molecular weight of 502.96 g/mol, XLogP of 1.23, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 42630942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).