5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol

C18H20FN5O — CID 171826643

IUPAC5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCc1cc(F)cc(O)c1-c1cc2cnn([C@@H]3CCCN(C)C3)c2nn1
InChIInChI=1S/C18H20FN5O/c1-11-6-13(19)8-16(25)17(11)15-7-12-9-20-24(18(12)22-21-15)14-4-3-5-23(2)10-14/h6-9,14,25H,3-5,10H2,1-2H3/t14-/m1/s1
InChIKeyFOHHPUGQDYIUNN-CQSZACIVSA-N
MW341.39 g/mol
LogP2.91
Rot. Bonds2

About 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol

5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol (PubChem CID 171826643) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol
PubChem CID171826643
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCc1cc(F)cc(O)c1-c1cc2cnn([C@@H]3CCCN(C)C3)c2nn1
InChIInChI=1S/C18H20FN5O/c1-11-6-13(19)8-16(25)17(11)15-7-12-9-20-24(18(12)22-21-15)14-4-3-5-23(2)10-14/h6-9,14,25H,3-5,10H2,1-2H3/t14-/m1/s1
InChIKeyFOHHPUGQDYIUNN-CQSZACIVSA-N
XLogP2.91
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The IUPAC name of 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol (CID 171826643) is 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol.
What is the SMILES notation for 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The canonical SMILES for 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol is Cc1cc(F)cc(O)c1-c1cc2cnn([C@@H]3CCCN(C)C3)c2nn1.
What is the InChIKey of 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The InChIKey is FOHHPUGQDYIUNN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11-6-13(19)8-16(25)17(11)15-7-12-9-20-24(18(12)22-21-15)14-4-3-5-23(2)10-14/h6-9,14,25H,3-5,10H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol has a molecular weight of 341.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-[1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol is sourced from PubChem (CID 171826643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).