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

C24H30FN5O — CID 170262950

IUPAC3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol
SMILESCC1(C)CC(CCc2ccc(-c3c(O)cc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1
InChIInChI=1S/C24H30FN5O/c1-23(2)11-15(12-24(3,4)30-23)5-6-18-7-8-20(29-28-18)22-19(25)9-16(10-21(22)31)17-13-26-27-14-17/h7-10,13-15,30-31H,5-6,11-12H2,1-4H3,(H,26,27)
InChIKeyKSVAKTNRJDFHAV-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.87
Rot. Bonds5

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

3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol (PubChem CID 170262950) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol
PubChem CID170262950
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC Name3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol
SMILESCC1(C)CC(CCc2ccc(-c3c(O)cc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1
InChIInChI=1S/C24H30FN5O/c1-23(2)11-15(12-24(3,4)30-23)5-6-18-7-8-20(29-28-18)22-19(25)9-16(10-21(22)31)17-13-26-27-14-17/h7-10,13-15,30-31H,5-6,11-12H2,1-4H3,(H,26,27)
InChIKeyKSVAKTNRJDFHAV-UHFFFAOYSA-N
XLogP4.87
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine
CID 90041398
3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611482
2-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-(2-fluoroethyl)amino]pyridazin-3-yl]-3-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 167054294
2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155025619
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
CID 129219468
5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(3,3,3-trifluoropropyl)amino]pyridazin-3-yl]phenol
CID 137464849
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287411
2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-5-(6-methoxypyridazin-4-yl)phenol
CID 153066758
5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 167524453
3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride
CID 156699216
2-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-5-(6-methoxypyridazin-4-yl)phenol
CID 154598746

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol?
The IUPAC name of 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol (CID 170262950) is 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol is CC1(C)CC(CCc2ccc(-c3c(O)cc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.
What is the InChIKey of 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol?
The InChIKey is KSVAKTNRJDFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-23(2)11-15(12-24(3,4)30-23)5-6-18-7-8-20(29-28-18)22-19(25)9-16(10-21(22)31)17-13-26-27-14-17/h7-10,13-15,30-31H,5-6,11-12H2,1-4H3,(H,26,27).
What are the key properties of 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol?
3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol has a molecular weight of 423.54 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 170262950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).