2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one

C22H24FN5O — CID 139027566

IUPAC2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCc1cc(C)nc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)n1
InChIInChI=1S/C22H24FN5O/c1-15-13-16(2)25-22(24-15)27-11-9-17(10-12-27)14-28-21(29)8-7-20(26-28)18-3-5-19(23)6-4-18/h3-8,13,17H,9-12,14H2,1-2H3
InChIKeyQQYYIJZWRWXWDW-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.37
Rot. Bonds4

About 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 139027566) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID139027566
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCc1cc(C)nc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)n1
InChIInChI=1S/C22H24FN5O/c1-15-13-16(2)25-22(24-15)27-11-9-17(10-12-27)14-28-21(29)8-7-20(26-28)18-3-5-19(23)6-4-18/h3-8,13,17H,9-12,14H2,1-2H3
InChIKeyQQYYIJZWRWXWDW-UHFFFAOYSA-N
XLogP3.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one with MolForge

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Related Compounds

6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95797494
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155798860
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027512
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
2-[[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 126852434
6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 82105302
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155798861
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 139027566) is 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one is Cc1cc(C)nc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)n1.
What is the InChIKey of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is QQYYIJZWRWXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15-13-16(2)25-22(24-15)27-11-9-17(10-12-27)14-28-21(29)8-7-20(26-28)18-3-5-19(23)6-4-18/h3-8,13,17H,9-12,14H2,1-2H3.
What are the key properties of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 393.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 139027566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).