2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one

C27H24ClN3O3 — CID 58585338

IUPAC2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
SMILESO=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC(O)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClN3O3/c28-21-8-10-22(11-9-21)31-27(33)26(25(18-29-31)30-16-14-23(32)15-17-30)34-24-12-6-20(7-13-24)19-4-2-1-3-5-19/h1-13,18,23,32H,14-17H2
InChIKeyCUEOLEVSFQMXCV-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.31
Rot. Bonds5

About 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one

2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one (PubChem CID 58585338) has the molecular formula C27H24ClN3O3 and a molecular weight of 473.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
PubChem CID58585338
Molecular FormulaC27H24ClN3O3
Molecular Weight473.96 g/mol
Exact Mass473.15
IUPAC Name2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
SMILESO=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC(O)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClN3O3/c28-21-8-10-22(11-9-21)31-27(33)26(25(18-29-31)30-16-14-23(32)15-17-30)34-24-12-6-20(7-13-24)19-4-2-1-3-5-19/h1-13,18,23,32H,14-17H2
InChIKeyCUEOLEVSFQMXCV-UHFFFAOYSA-N
XLogP5.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one (CID 58585338) is 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one is O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC(O)CC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?
The InChIKey is CUEOLEVSFQMXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3/c28-21-8-10-22(11-9-21)31-27(33)26(25(18-29-31)30-16-14-23(32)15-17-30)34-24-12-6-20(7-13-24)19-4-2-1-3-5-19/h1-13,18,23,32H,14-17H2.
What are the key properties of 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?
2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one has a molecular weight of 473.96 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one is sourced from PubChem (CID 58585338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).