2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol

C23H25FN8O2 — CID 155287534

IUPAC2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol
SMILESCC1(C)C[C@@H](Oc2ccc(-c3ncc(-c4nc5cnccn5n4)cc3O)nn2)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C23H25FN8O2/c1-22(2)10-16(20(24)23(3,4)31-22)34-18-6-5-14(28-29-18)19-15(33)9-13(11-26-19)21-27-17-12-25-7-8-32(17)30-21/h5-9,11-12,16,20,31,33H,10H2,1-4H3/t16-,20-/m1/s1
InChIKeySBBKJFMLZNJVNX-OXQOHEQNSA-N
MW464.51 g/mol
LogP2.98
Rot. Bonds4

About 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol

2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol (PubChem CID 155287534) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol
PubChem CID155287534
Molecular FormulaC23H25FN8O2
Molecular Weight464.51 g/mol
Exact Mass464.21
IUPAC Name2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol
SMILESCC1(C)C[C@@H](Oc2ccc(-c3ncc(-c4nc5cnccn5n4)cc3O)nn2)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C23H25FN8O2/c1-22(2)10-16(20(24)23(3,4)31-22)34-18-6-5-14(28-29-18)19-15(33)9-13(11-26-19)21-27-17-12-25-7-8-32(17)30-21/h5-9,11-12,16,20,31,33H,10H2,1-4H3/t16-,20-/m1/s1
InChIKeySBBKJFMLZNJVNX-OXQOHEQNSA-N
XLogP2.98
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol (CID 155287534) is 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-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-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol is CC1(C)C[C@@H](Oc2ccc(-c3ncc(-c4nc5cnccn5n4)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-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol?
The InChIKey is SBBKJFMLZNJVNX-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H25FN8O2/c1-22(2)10-16(20(24)23(3,4)31-22)34-18-6-5-14(28-29-18)19-15(33)9-13(11-26-19)21-27-17-12-25-7-8-32(17)30-21/h5-9,11-12,16,20,31,33H,10H2,1-4H3/t16-,20-/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-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol?
2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol has a molecular weight of 464.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 10 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-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol is sourced from PubChem (CID 155287534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).