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

C27H20ClN3O2 — CID 143481445

IUPAC2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one
SMILESO=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2C=CCC=C2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClN3O2/c28-22-11-13-23(14-12-22)31-27(32)26(25(19-29-31)30-17-5-2-6-18-30)33-24-15-9-21(10-16-24)20-7-3-1-4-8-20/h1,3-19H,2H2
InChIKeyRFSWPFFQLJETLP-UHFFFAOYSA-N
MW453.93 g/mol
LogP6.58
Rot. Bonds5

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

2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one (PubChem CID 143481445) has the molecular formula C27H20ClN3O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one
PubChem CID143481445
Molecular FormulaC27H20ClN3O2
Molecular Weight453.93 g/mol
Exact Mass453.12
IUPAC Name2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one
SMILESO=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2C=CCC=C2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClN3O2/c28-22-11-13-23(14-12-22)31-27(32)26(25(19-29-31)30-17-5-2-6-18-30)33-24-15-9-21(10-16-24)20-7-3-1-4-8-20/h1,3-19H,2H2
InChIKeyRFSWPFFQLJETLP-UHFFFAOYSA-N
XLogP6.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-(4-oxopiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585409
2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one;hydrochloride
CID 10075021
2-(4-chlorophenyl)-5-(4-methyl-1,4-diazepan-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585218
2-(4-chlorophenyl)-5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585389
2-(4-chlorophenyl)-5-[(2R)-2-methylpiperazin-4-ium-1-yl]-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585342
5-azido-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585370
2-(4-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one;molecular hydrogen;chloride
CID 159868999
4-[1-(4-chlorophenyl)-6-oxo-5-(4-phenylphenoxy)pyridazin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 58585259
2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 58585176
5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 71103500
4-[1-(4-methylphenyl)-6-oxo-5-(4-phenylphenoxy)pyridazin-4-yl]piperazine-1-carbaldehyde
CID 58585347
2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 161410898

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one (CID 143481445) is 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one is O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2C=CCC=C2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one?
The InChIKey is RFSWPFFQLJETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O2/c28-22-11-13-23(14-12-22)31-27(32)26(25(19-29-31)30-17-5-2-6-18-30)33-24-15-9-21(10-16-24)20-7-3-1-4-8-20/h1,3-19H,2H2.
What are the key properties of 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one?
2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one has a molecular weight of 453.93 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one is sourced from PubChem (CID 143481445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).