6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one

C20H20FN5O — CID 139023445

IUPAC6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CC1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20FN5O/c21-17-4-2-16(3-5-17)18-6-7-19(27)26(24-18)14-15-8-12-25(13-9-15)20-22-10-1-11-23-20/h1-7,10-11,15H,8-9,12-14H2
InChIKeyQZCYBGDKZPTBIN-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.76
Rot. Bonds4

About 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one (PubChem CID 139023445) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
PubChem CID139023445
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CC1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20FN5O/c21-17-4-2-16(3-5-17)18-6-7-19(27)26(24-18)14-15-8-12-25(13-9-15)20-22-10-1-11-23-20/h1-7,10-11,15H,8-9,12-14H2
InChIKeyQZCYBGDKZPTBIN-UHFFFAOYSA-N
XLogP2.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95797494
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740
2-[[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 126852434
6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 66510167
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126852409
2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863563
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863717
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155798860

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one (CID 139023445) is 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1CC1CCN(c2ncccn2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The InChIKey is QZCYBGDKZPTBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-17-4-2-16(3-5-17)18-6-7-19(27)26(24-18)14-15-8-12-25(13-9-15)20-22-10-1-11-23-20/h1-7,10-11,15H,8-9,12-14H2.
What are the key properties of 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one has a molecular weight of 365.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 139023445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).