3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one

C16H9F4N5O2 — CID 162511012

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one
SMILESO=C1NN(c2ccc(F)c(F)c2)Cc2ncc(-c3nnc(C(F)F)o3)cc21
InChIInChI=1S/C16H9F4N5O2/c17-10-2-1-8(4-11(10)18)25-6-12-9(14(26)24-25)3-7(5-21-12)15-22-23-16(27-15)13(19)20/h1-5,13H,6H2,(H,24,26)
InChIKeyNLXUSVFMXIHXFJ-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.01
Rot. Bonds3

About 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one (PubChem CID 162511012) has the molecular formula C16H9F4N5O2 and a molecular weight of 379.27 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one
PubChem CID162511012
Molecular FormulaC16H9F4N5O2
Molecular Weight379.27 g/mol
Exact Mass379.07
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one
SMILESO=C1NN(c2ccc(F)c(F)c2)Cc2ncc(-c3nnc(C(F)F)o3)cc21
InChIInChI=1S/C16H9F4N5O2/c17-10-2-1-8(4-11(10)18)25-6-12-9(14(26)24-25)3-7(5-21-12)15-22-23-16(27-15)13(19)20/h1-5,13H,6H2,(H,24,26)
InChIKeyNLXUSVFMXIHXFJ-UHFFFAOYSA-N
XLogP3.01
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one (CID 162511012) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one is O=C1NN(c2ccc(F)c(F)c2)Cc2ncc(-c3nnc(C(F)F)o3)cc21.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is NLXUSVFMXIHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N5O2/c17-10-2-1-8(4-11(10)18)25-6-12-9(14(26)24-25)3-7(5-21-12)15-22-23-16(27-15)13(19)20/h1-5,13H,6H2,(H,24,26).
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 379.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 162511012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).