2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol

C21H23FN6O2 — CID 155287538

IUPAC2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC1(C)CC(Oc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)CC2(CC2)N1
InChIInChI=1S/C21H23FN6O2/c1-20(2)8-13(9-21(28-20)5-6-21)30-17-4-3-15(25-26-17)18-16(29)7-12(10-23-18)14-11-24-27-19(14)22/h3-4,7,10-11,13,28-29H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyYUBMMGFJTJWQAK-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.22
Rot. Bonds4

About 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol

2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 155287538) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol
PubChem CID155287538
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC1(C)CC(Oc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)CC2(CC2)N1
InChIInChI=1S/C21H23FN6O2/c1-20(2)8-13(9-21(28-20)5-6-21)30-17-4-3-15(25-26-17)18-16(29)7-12(10-23-18)14-11-24-27-19(14)22/h3-4,7,10-11,13,28-29H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyYUBMMGFJTJWQAK-UHFFFAOYSA-N
XLogP3.22
TPSA108.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol with MolForge

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Related Compounds

5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol
CID 164806084
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
5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
CID 156699106
3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
CID 129219468
3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
CID 137197120
6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one
CID 129219458
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol
CID 155287162
3-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol
CID 155024158
6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline
CID 73293991
[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl] 4-methylbenzenesulfonate
CID 162524848
5-[5-hydroxy-6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-3-pyridinyl]-2-methylindazole-7-carbonitrile;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1,2,4-triazol-1-yl)pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-1-yl)pyridin-3-ol
CID 165089286

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol (CID 155287538) is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol is CC1(C)CC(Oc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)CC2(CC2)N1.
What is the InChIKey of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol?
The InChIKey is YUBMMGFJTJWQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-20(2)8-13(9-21(28-20)5-6-21)30-17-4-3-15(25-26-17)18-16(29)7-12(10-23-18)14-11-24-27-19(14)22/h3-4,7,10-11,13,28-29H,5-6,8-9H2,1-2H3,(H,24,27).
What are the key properties of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol?
2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 410.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 155287538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).