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

C25H28FN7O2 — CID 155287258

IUPAC2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
SMILESCc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc2n1
InChIInChI=1S/C25H28FN7O2/c1-14-13-33-20(28-14)8-6-16(31-33)15-10-18(34)22(27-12-15)17-7-9-21(30-29-17)35-19-11-24(2,3)32-25(4,5)23(19)26/h6-10,12-13,19,23,32,34H,11H2,1-5H3/t19-,23-/m0/s1
InChIKeyGKKMZWHIGUOOHX-CVDCTZTESA-N
MW477.54 g/mol
LogP3.90
Rot. Bonds4

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

2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol (PubChem CID 155287258) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
PubChem CID155287258
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
SMILESCc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc2n1
InChIInChI=1S/C25H28FN7O2/c1-14-13-33-20(28-14)8-6-16(31-33)15-10-18(34)22(27-12-15)17-7-9-21(30-29-17)35-19-11-24(2,3)32-25(4,5)23(19)26/h6-10,12-13,19,23,32,34H,11H2,1-5H3/t19-,23-/m0/s1
InChIKeyGKKMZWHIGUOOHX-CVDCTZTESA-N
XLogP3.90
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol (CID 155287258) is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol is Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc2n1.
What is the InChIKey of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol?
The InChIKey is GKKMZWHIGUOOHX-CVDCTZTESA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-14-13-33-20(28-14)8-6-16(31-33)15-10-18(34)22(27-12-15)17-7-9-21(30-29-17)35-19-11-24(2,3)32-25(4,5)23(19)26/h6-10,12-13,19,23,32,34H,11H2,1-5H3/t19-,23-/m0/s1.
What are the key properties of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol?
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol has a molecular weight of 477.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol is sourced from PubChem (CID 155287258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).