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

C24H22FN5O2 — CID 58072362

IUPAC1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cn(-c2ccc(N3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H22FN5O2/c1-17-16-29(21-8-7-19(15-20(21)25)28-11-13-32-14-12-28)27-23(24(17)31)22-9-10-26-30(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKeyXOILDQGLNKOYQF-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.37
Rot. Bonds4

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

1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58072362) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58072362
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cn(-c2ccc(N3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H22FN5O2/c1-17-16-29(21-8-7-19(15-20(21)25)28-11-13-32-14-12-28)27-23(24(17)31)22-9-10-26-30(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKeyXOILDQGLNKOYQF-UHFFFAOYSA-N
XLogP3.37
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58072362) is 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is Cc1cn(-c2ccc(N3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is XOILDQGLNKOYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-17-16-29(21-8-7-19(15-20(21)25)28-11-13-32-14-12-28)27-23(24(17)31)22-9-10-26-30(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 431.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58072362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).