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

C26H29FN6O2 — CID 155287458

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(OC5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C26H29FN6O2/c1-25(2)11-18(12-26(3,4)32-25)35-22-7-6-20(29-30-22)24-21(34)10-16(13-28-24)15-8-17-14-33(5)31-23(17)19(27)9-15/h6-10,13-14,18,32,34H,11-12H2,1-5H3
InChIKeyKONFFFFMQXSSIX-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.62
Rot. Bonds4

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

5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol (PubChem CID 155287458) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(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-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
PubChem CID155287458
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(OC5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C26H29FN6O2/c1-25(2)11-18(12-26(3,4)32-25)35-22-7-6-20(29-30-22)24-21(34)10-16(13-28-24)15-8-17-14-33(5)31-23(17)19(27)9-15/h6-10,13-14,18,32,34H,11-12H2,1-5H3
InChIKeyKONFFFFMQXSSIX-UHFFFAOYSA-N
XLogP4.62
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(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-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol (CID 155287458) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(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-(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-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol is Cn1cc2cc(-c3cnc(-c4ccc(OC5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?
The InChIKey is KONFFFFMQXSSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-25(2)11-18(12-26(3,4)32-25)35-22-7-6-20(29-30-22)24-21(34)10-16(13-28-24)15-8-17-14-33(5)31-23(17)19(27)9-15/h6-10,13-14,18,32,34H,11-12H2,1-5H3.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol has a molecular weight of 476.56 g/mol, XLogP of 4.62, 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-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).