5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol

C23H26FN7O — CID 156699106

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCC1(C)CC(n2ncc3cc(-c4ccc(-c5cn[nH]c5F)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C23H26FN7O/c1-22(2)9-15(10-23(3,4)30-22)31-21-14(11-26-31)7-18(27-29-21)16-6-5-13(8-19(16)32)17-12-25-28-20(17)24/h5-8,11-12,15,30,32H,9-10H2,1-4H3,(H,25,28)
InChIKeyWRXQARSSSFRRGF-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.21
Rot. Bonds3

About 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol

5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol (PubChem CID 156699106) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
PubChem CID156699106
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCC1(C)CC(n2ncc3cc(-c4ccc(-c5cn[nH]c5F)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C23H26FN7O/c1-22(2)9-15(10-23(3,4)30-22)31-21-14(11-26-31)7-18(27-29-21)16-6-5-13(8-19(16)32)17-12-25-28-20(17)24/h5-8,11-12,15,30,32H,9-10H2,1-4H3,(H,25,28)
InChIKeyWRXQARSSSFRRGF-UHFFFAOYSA-N
XLogP4.21
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol (CID 156699106) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol.
What is the SMILES notation for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol is CC1(C)CC(n2ncc3cc(-c4ccc(-c5cn[nH]c5F)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The InChIKey is WRXQARSSSFRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-22(2)9-15(10-23(3,4)30-22)31-21-14(11-26-31)7-18(27-29-21)16-6-5-13(8-19(16)32)17-12-25-28-20(17)24/h5-8,11-12,15,30,32H,9-10H2,1-4H3,(H,25,28).
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol has a molecular weight of 435.51 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol is sourced from PubChem (CID 156699106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).