5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol

C21H26N6O2 — CID 155287326

IUPAC5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
SMILESCC1(C)CC(Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C21H26N6O2/c1-20(2)8-15(9-21(3,4)27-20)29-18-6-5-16(25-26-18)19-17(28)7-13(10-22-19)14-11-23-24-12-14/h5-7,10-12,15,27-28H,8-9H2,1-4H3,(H,23,24)
InChIKeyAGAQMRZEABRAMD-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.32
Rot. Bonds4

About 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol

5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol (PubChem CID 155287326) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
PubChem CID155287326
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
SMILESCC1(C)CC(Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C21H26N6O2/c1-20(2)8-15(9-21(3,4)27-20)29-18-6-5-16(25-26-18)19-17(28)7-13(10-22-19)14-11-23-24-12-14/h5-7,10-12,15,27-28H,8-9H2,1-4H3,(H,23,24)
InChIKeyAGAQMRZEABRAMD-UHFFFAOYSA-N
XLogP3.32
TPSA108.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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1-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenoxy)propan-2-one
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dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol (CID 155287326) is 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol is CC1(C)CC(Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?
The InChIKey is AGAQMRZEABRAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-20(2)8-15(9-21(3,4)27-20)29-18-6-5-16(25-26-18)19-17(28)7-13(10-22-19)14-11-23-24-12-14/h5-7,10-12,15,27-28H,8-9H2,1-4H3,(H,23,24).
What are the key properties of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol has a molecular weight of 394.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).