3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine

C22H26FN5O — CID 129219785

IUPAC3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1
InChIInChI=1S/C22H26FN5O/c1-21(2)10-16(11-22(3,4)28-21)29-20-8-7-19(26-27-20)17-6-5-14(9-18(17)23)15-12-24-25-13-15/h5-9,12-13,16,28H,10-11H2,1-4H3,(H,24,25)
InChIKeySSLOYQNXXJOLCW-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.36
Rot. Bonds4

About 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine

3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (PubChem CID 129219785) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.

Molecular Properties

Compound Name3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
PubChem CID129219785
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1
InChIInChI=1S/C22H26FN5O/c1-21(2)10-16(11-22(3,4)28-21)29-20-8-7-19(26-27-20)17-6-5-14(9-18(17)23)15-12-24-25-13-15/h5-9,12-13,16,28H,10-11H2,1-4H3,(H,24,25)
InChIKeySSLOYQNXXJOLCW-UHFFFAOYSA-N
XLogP4.36
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The IUPAC name of 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (CID 129219785) is 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.
What is the SMILES notation for 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The canonical SMILES for 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.
What is the InChIKey of 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The InChIKey is SSLOYQNXXJOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-21(2)10-16(11-22(3,4)28-21)29-20-8-7-19(26-27-20)17-6-5-14(9-18(17)23)15-12-24-25-13-15/h5-9,12-13,16,28H,10-11H2,1-4H3,(H,24,25).
What are the key properties of 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine has a molecular weight of 395.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is sourced from PubChem (CID 129219785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).