5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile

C27H28FN7O2 — CID 155287555

IUPAC5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1
InChIInChI=1S/C27H28FN7O2/c1-26(2)11-21(25(28)27(3,4)34-26)37-22-7-6-19(31-32-22)24-20(36)10-17(13-30-24)15-8-16(12-29)23-18(9-15)14-35(5)33-23/h6-10,13-14,21,25,34,36H,11H2,1-5H3/t21-,25-/m0/s1
InChIKeyCUOLOOZOTORJDW-OFVILXPXSA-N
MW501.57 g/mol
LogP4.31
Rot. Bonds4

About 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile

5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile (PubChem CID 155287555) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile
PubChem CID155287555
Molecular FormulaC27H28FN7O2
Molecular Weight501.57 g/mol
Exact Mass501.23
IUPAC Name5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1
InChIInChI=1S/C27H28FN7O2/c1-26(2)11-21(25(28)27(3,4)34-26)37-22-7-6-19(31-32-22)24-20(36)10-17(13-30-24)15-8-16(12-29)23-18(9-15)14-35(5)33-23/h6-10,13-14,21,25,34,36H,11H2,1-5H3/t21-,25-/m0/s1
InChIKeyCUOLOOZOTORJDW-OFVILXPXSA-N
XLogP4.31
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile with MolForge

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Related Compounds

(S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)phenol
CID 135971438
2-(5-((S)-2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)-4-fluorophenol
CID 135971439
US10766893, Example 17b
CID 138692710
US10766893, Example 12b
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US10034861, Example 82
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US10034861, Example 106
CID 132273404
US10034861, Example 118
CID 132273417
US10034861, Example 125
CID 132273422
US10618913, Example 6
CID 138718625
US11491140, Example 125
CID 140830731
US10034861, Example 112
CID 132273411
US10034861, Example 114
CID 132273413

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile (CID 155287555) is 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile is Cn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.
What is the InChIKey of 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?
The InChIKey is CUOLOOZOTORJDW-OFVILXPXSA-N. The full InChI is InChI=1S/C27H28FN7O2/c1-26(2)11-21(25(28)27(3,4)34-26)37-22-7-6-19(31-32-22)24-20(36)10-17(13-30-24)15-8-16(12-29)23-18(9-15)14-35(5)33-23/h6-10,13-14,21,25,34,36H,11H2,1-5H3/t21-,25-/m0/s1.
What are the key properties of 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?
5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile has a molecular weight of 501.57 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 155287555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).