1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one

C25H18FN5O — CID 58577326

IUPAC1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-c2nn(-c3ccc(-c4ccccn4)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C25H18FN5O/c1-17-15-23(31(28-17)19-7-3-2-4-8-19)25-24(32)12-14-30(29-25)22-11-10-18(16-20(22)26)21-9-5-6-13-27-21/h2-16H,1H3
InChIKeyQLEDBTIYWDTTCK-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.59
Rot. Bonds4

About 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one

1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577326) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577326
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC Name1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-c2nn(-c3ccc(-c4ccccn4)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C25H18FN5O/c1-17-15-23(31(28-17)19-7-3-2-4-8-19)25-24(32)12-14-30(29-25)22-11-10-18(16-20(22)26)21-9-5-6-13-27-21/h2-16H,1H3
InChIKeyQLEDBTIYWDTTCK-UHFFFAOYSA-N
XLogP4.59
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577326) is 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one is Cc1cc(-c2nn(-c3ccc(-c4ccccn4)cc3F)ccc2=O)n(-c2ccccc2)n1.
What is the InChIKey of 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is QLEDBTIYWDTTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c1-17-15-23(31(28-17)19-7-3-2-4-8-19)25-24(32)12-14-30(29-25)22-11-10-18(16-20(22)26)21-9-5-6-13-27-21/h2-16H,1H3.
What are the key properties of 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 423.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridin-2-ylphenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).