5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol

C26H28F2N6O2 — CID 155287187

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(O[C@@H]5CC(C)(C)NC(C)(C)[C@@H]5F)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C26H28F2N6O2/c1-25(2)11-20(24(28)26(3,4)33-25)36-21-7-6-18(30-31-21)23-19(35)10-15(12-29-23)14-8-16-13-34(5)32-22(16)17(27)9-14/h6-10,12-13,20,24,33,35H,11H2,1-5H3/t20-,24-/m1/s1
InChIKeyBBMZUVRWZKVAMI-HYBUGGRVSA-N
MW494.55 g/mol
LogP4.57
Rot. Bonds4

About 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol

5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol (PubChem CID 155287187) has the molecular formula C26H28F2N6O2 and a molecular weight of 494.55 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
PubChem CID155287187
Molecular FormulaC26H28F2N6O2
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(O[C@@H]5CC(C)(C)NC(C)(C)[C@@H]5F)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C26H28F2N6O2/c1-25(2)11-20(24(28)26(3,4)33-25)36-21-7-6-18(30-31-21)23-19(35)10-15(12-29-23)14-8-16-13-34(5)32-22(16)17(27)9-14/h6-10,12-13,20,24,33,35H,11H2,1-5H3/t20-,24-/m1/s1
InChIKeyBBMZUVRWZKVAMI-HYBUGGRVSA-N
XLogP4.57
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol (CID 155287187) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol is Cn1cc2cc(-c3cnc(-c4ccc(O[C@@H]5CC(C)(C)NC(C)(C)[C@@H]5F)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The InChIKey is BBMZUVRWZKVAMI-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H28F2N6O2/c1-25(2)11-20(24(28)26(3,4)33-25)36-21-7-6-18(30-31-21)23-19(35)10-15(12-29-23)14-8-16-13-34(5)32-22(16)17(27)9-14/h6-10,12-13,20,24,33,35H,11H2,1-5H3/t20-,24-/m1/s1.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol has a molecular weight of 494.55 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).