6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one

C19H19F2N5O2 — CID 154662310

IUPAC6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nnc(N3CCC(Cc4cc(F)cc(F)c4)CC3)o2)ccc1=O
InChIInChI=1S/C19H19F2N5O2/c1-25-17(27)3-2-16(24-25)18-22-23-19(28-18)26-6-4-12(5-7-26)8-13-9-14(20)11-15(21)10-13/h2-3,9-12H,4-8H2,1H3
InChIKeyJUUVIWMNVBIGKG-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.57
Rot. Bonds4

About 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one

6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one (PubChem CID 154662310) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one
PubChem CID154662310
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nnc(N3CCC(Cc4cc(F)cc(F)c4)CC3)o2)ccc1=O
InChIInChI=1S/C19H19F2N5O2/c1-25-17(27)3-2-16(24-25)18-22-23-19(28-18)26-6-4-12(5-7-26)8-13-9-14(20)11-15(21)10-13/h2-3,9-12H,4-8H2,1H3
InChIKeyJUUVIWMNVBIGKG-UHFFFAOYSA-N
XLogP2.57
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one (CID 154662310) is 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one is Cn1nc(-c2nnc(N3CCC(Cc4cc(F)cc(F)c4)CC3)o2)ccc1=O.
What is the InChIKey of 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one?
The InChIKey is JUUVIWMNVBIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-25-17(27)3-2-16(24-25)18-22-23-19(28-18)26-6-4-12(5-7-26)8-13-9-14(20)11-15(21)10-13/h2-3,9-12H,4-8H2,1H3.
What are the key properties of 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one?
6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one has a molecular weight of 387.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 154662310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).