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

C24H31N5O2 — CID 155025619

IUPAC2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCC1(C)CC(CC(O)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C24H31N5O2/c1-23(2)11-15(12-24(3,4)29-23)9-22(31)20-8-7-19(27-28-20)18-6-5-16(10-21(18)30)17-13-25-26-14-17/h5-8,10,13-15,22,29-31H,9,11-12H2,1-4H3,(H,25,26)
InChIKeyGHPSKXHXHYTCPX-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.22
Rot. Bonds5

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

2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 155025619) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID155025619
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCC1(C)CC(CC(O)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C24H31N5O2/c1-23(2)11-15(12-24(3,4)29-23)9-22(31)20-8-7-19(27-28-20)18-6-5-16(10-21(18)30)17-13-25-26-14-17/h5-8,10,13-15,22,29-31H,9,11-12H2,1-4H3,(H,25,26)
InChIKeyGHPSKXHXHYTCPX-UHFFFAOYSA-N
XLogP4.22
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Branaplam
CID 135565042
2-[6-[[(1S,3R,5R)-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162650370
2-[6-[[(1R,3S,5S)-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162666196
Nvs-SM2
CID 136598218
5-(1H-Pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethyl-4-piperidinyl)methyl]-3-pyridazinyl]phenol
CID 136598251
2-[6-[[(1R,2S,3R,5S)-2-fluoro-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162647444
2-[6-[[(1S,2R,3S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162657710
2-[6-[[(1R,2S,3R,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162664731
2-[6-[[(1S,2R,3S,5R)-2-fluoro-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162675294
Branaplam Hydrochloride
CID 135565041
3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
CID 136377177
2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 137464847

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 155025619) is 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CC1(C)CC(CC(O)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is GHPSKXHXHYTCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-23(2)11-15(12-24(3,4)29-23)9-22(31)20-8-7-19(27-28-20)18-6-5-16(10-21(18)30)17-13-25-26-14-17/h5-8,10,13-15,22,29-31H,9,11-12H2,1-4H3,(H,25,26).
What are the key properties of 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 421.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 155025619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).