2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol

C26H30FN7O3 — CID 155287260

IUPAC2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
SMILESCOc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12
InChIInChI=1S/C26H30FN7O3/c1-14-13-34-24(29-14)19(36-6)10-17(32-34)15-9-18(35)22(28-12-15)16-7-8-21(31-30-16)37-20-11-25(2,3)33-26(4,5)23(20)27/h7-10,12-13,20,23,33,35H,11H2,1-6H3/t20-,23-/m0/s1
InChIKeyIPXDYRBETALMJU-REWPJTCUSA-N
MW507.57 g/mol
LogP3.91
Rot. Bonds5

About 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol (PubChem CID 155287260) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
PubChem CID155287260
Molecular FormulaC26H30FN7O3
Molecular Weight507.57 g/mol
Exact Mass507.24
IUPAC Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
SMILESCOc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12
InChIInChI=1S/C26H30FN7O3/c1-14-13-34-24(29-14)19(36-6)10-17(32-34)15-9-18(35)22(28-12-15)16-7-8-21(31-30-16)37-20-11-25(2,3)33-26(4,5)23(20)27/h7-10,12-13,20,23,33,35H,11H2,1-6H3/t20-,23-/m0/s1
InChIKeyIPXDYRBETALMJU-REWPJTCUSA-N
XLogP3.91
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-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-(8-methoxy-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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol (CID 155287260) is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-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-(8-methoxy-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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol is COc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12.
What is the InChIKey of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol?
The InChIKey is IPXDYRBETALMJU-REWPJTCUSA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-14-13-34-24(29-14)19(36-6)10-17(32-34)15-9-18(35)22(28-12-15)16-7-8-21(31-30-16)37-20-11-25(2,3)33-26(4,5)23(20)27/h7-10,12-13,20,23,33,35H,11H2,1-6H3/t20-,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-(8-methoxy-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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol has a molecular weight of 507.57 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 10 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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol is sourced from PubChem (CID 155287260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).