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

C24H28FN7O — CID 156699307

IUPAC5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCn1cc(-c2ccc(-c3cc4cnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c(F)n1
InChIInChI=1S/C24H28FN7O/c1-23(2)10-16(11-24(3,4)30-23)32-22-15(12-26-32)8-19(27-28-22)17-7-6-14(9-20(17)33)18-13-31(5)29-21(18)25/h6-9,12-13,16,30,33H,10-11H2,1-5H3
InChIKeyFIEBCNQTCOVUFG-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.22
Rot. Bonds3

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

5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol (PubChem CID 156699307) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol.

Molecular Properties

Compound Name5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
PubChem CID156699307
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC Name5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCn1cc(-c2ccc(-c3cc4cnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c(F)n1
InChIInChI=1S/C24H28FN7O/c1-23(2)10-16(11-24(3,4)30-23)32-22-15(12-26-32)8-19(27-28-22)17-7-6-14(9-20(17)33)18-13-31(5)29-21(18)25/h6-9,12-13,16,30,33H,10-11H2,1-5H3
InChIKeyFIEBCNQTCOVUFG-UHFFFAOYSA-N
XLogP4.22
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The IUPAC name of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol (CID 156699307) is 5-(3-fluoro-1-methylpyrazol-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-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The canonical SMILES for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol is Cn1cc(-c2ccc(-c3cc4cnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c(F)n1.
What is the InChIKey of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The InChIKey is FIEBCNQTCOVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c1-23(2)10-16(11-24(3,4)30-23)32-22-15(12-26-32)8-19(27-28-22)17-7-6-14(9-20(17)33)18-13-31(5)29-21(18)25/h6-9,12-13,16,30,33H,10-11H2,1-5H3.
What are the key properties of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol has a molecular weight of 449.53 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol is sourced from PubChem (CID 156699307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).