2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol

C24H26FN7O2 — CID 155287257

IUPAC2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol
SMILESCC1(C)C[C@@H](Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C24H26FN7O2/c1-23(2)12-18(22(25)24(3,4)31-23)34-20-8-6-16(28-29-20)21-17(33)11-14(13-27-21)15-5-7-19-26-9-10-32(19)30-15/h5-11,13,18,22,31,33H,12H2,1-4H3/t18-,22-/m1/s1
InChIKeyZHUYPWAWMMNBMR-XMSQKQJNSA-N
MW463.52 g/mol
LogP3.59
Rot. Bonds4

About 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol

2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol (PubChem CID 155287257) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol
PubChem CID155287257
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol
SMILESCC1(C)C[C@@H](Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C24H26FN7O2/c1-23(2)12-18(22(25)24(3,4)31-23)34-20-8-6-16(28-29-20)21-17(33)11-14(13-27-21)15-5-7-19-26-9-10-32(19)30-15/h5-11,13,18,22,31,33H,12H2,1-4H3/t18-,22-/m1/s1
InChIKeyZHUYPWAWMMNBMR-XMSQKQJNSA-N
XLogP3.59
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol?
The IUPAC name of 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol (CID 155287257) is 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol.
What is the SMILES notation for 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol?
The canonical SMILES for 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol is CC1(C)C[C@@H](Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)[C@@H](F)C(C)(C)N1.
What is the InChIKey of 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol?
The InChIKey is ZHUYPWAWMMNBMR-XMSQKQJNSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-23(2)12-18(22(25)24(3,4)31-23)34-20-8-6-16(28-29-20)21-17(33)11-14(13-27-21)15-5-7-19-26-9-10-32(19)30-15/h5-11,13,18,22,31,33H,12H2,1-4H3/t18-,22-/m1/s1.
What are the key properties of 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol?
2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol has a molecular weight of 463.52 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol is sourced from PubChem (CID 155287257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).