6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

C20H20FN5O3 — CID 46958877

IUPAC6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nonc1C(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C20H20FN5O3/c1-13-19(24-29-23-13)20(28)25-10-8-14(9-11-25)12-26-18(27)7-6-17(22-26)15-2-4-16(21)5-3-15/h2-7,14H,8-12H2,1H3
InChIKeyBAFVDJZGWGRHIU-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.29
Rot. Bonds4

About 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 46958877) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID46958877
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nonc1C(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C20H20FN5O3/c1-13-19(24-29-23-13)20(28)25-10-8-14(9-11-25)12-26-18(27)7-6-17(22-26)15-2-4-16(21)5-3-15/h2-7,14H,8-12H2,1H3
InChIKeyBAFVDJZGWGRHIU-UHFFFAOYSA-N
XLogP2.29
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 46958877) is 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1nonc1C(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is BAFVDJZGWGRHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-13-19(24-29-23-13)20(28)25-10-8-14(9-11-25)12-26-18(27)7-6-17(22-26)15-2-4-16(21)5-3-15/h2-7,14H,8-12H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 397.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 46958877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).