8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C17H17FN4O2 — CID 25002579

IUPAC8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C17H17FN4O2/c18-12-4-3-10(9-14(12)22-7-5-15(22)23)8-13-16-11(2-1-6-19-16)17(24)21-20-13/h3-4,9,19H,1-2,5-8H2,(H,21,24)
InChIKeyBCIXIZPGKQODTC-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.59
Rot. Bonds3

About 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 25002579) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID25002579
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C17H17FN4O2/c18-12-4-3-10(9-14(12)22-7-5-15(22)23)8-13-16-11(2-1-6-19-16)17(24)21-20-13/h3-4,9,19H,1-2,5-8H2,(H,21,24)
InChIKeyBCIXIZPGKQODTC-UHFFFAOYSA-N
XLogP1.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 25002579) is 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is O=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is BCIXIZPGKQODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-12-4-3-10(9-14(12)22-7-5-15(22)23)8-13-16-11(2-1-6-19-16)17(24)21-20-13/h3-4,9,19H,1-2,5-8H2,(H,21,24).
What are the key properties of 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 328.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-fluoro-3-(2-oxoazetidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 25002579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).