4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one

C25H28FN7O2 — CID 156699061

IUPAC4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cc(O)c(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)cc2F)cc1=O
InChIInChI=1S/C25H28FN7O2/c1-24(2)12-15(13-25(3,4)30-24)33-23-20(28-31-33)11-19(27-29-23)17-9-18(26)16(10-21(17)34)14-6-7-32(5)22(35)8-14/h6-11,15,30,34H,12-13H2,1-5H3
InChIKeySXOWGTNFCLHLGC-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.58
Rot. Bonds3

About 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one

4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one (PubChem CID 156699061) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one
PubChem CID156699061
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cc(O)c(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)cc2F)cc1=O
InChIInChI=1S/C25H28FN7O2/c1-24(2)12-15(13-25(3,4)30-24)33-23-20(28-31-33)11-19(27-29-23)17-9-18(26)16(10-21(17)34)14-6-7-32(5)22(35)8-14/h6-11,15,30,34H,12-13H2,1-5H3
InChIKeySXOWGTNFCLHLGC-UHFFFAOYSA-N
XLogP3.58
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one (CID 156699061) is 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one is Cn1ccc(-c2cc(O)c(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)cc2F)cc1=O.
What is the InChIKey of 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one?
The InChIKey is SXOWGTNFCLHLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-24(2)12-15(13-25(3,4)30-24)33-23-20(28-31-33)11-19(27-29-23)17-9-18(26)16(10-21(17)34)14-6-7-32(5)22(35)8-14/h6-11,15,30,34H,12-13H2,1-5H3.
What are the key properties of 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one?
4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one has a molecular weight of 477.54 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 156699061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).