6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

C26H27FN8O2 — CID 155287340

IUPAC6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1
InChIInChI=1S/C26H27FN8O2/c1-14-13-35-24(30-14)15(11-28)8-18(33-35)16-9-19(36)22(29-12-16)17-6-7-21(32-31-17)37-20-10-25(2,3)34-26(4,5)23(20)27/h6-9,12-13,20,23,34,36H,10H2,1-5H3/t20-,23-/m0/s1
InChIKeyDPIDCRDILRBRKR-REWPJTCUSA-N
MW502.55 g/mol
LogP3.77
Rot. Bonds4

About 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (PubChem CID 155287340) has the molecular formula C26H27FN8O2 and a molecular weight of 502.55 g/mol. Its IUPAC name is 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.

Molecular Properties

Compound Name6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
PubChem CID155287340
Molecular FormulaC26H27FN8O2
Molecular Weight502.55 g/mol
Exact Mass502.22
IUPAC Name6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1
InChIInChI=1S/C26H27FN8O2/c1-14-13-35-24(30-14)15(11-28)8-18(33-35)16-9-19(36)22(29-12-16)17-6-7-21(32-31-17)37-20-10-25(2,3)34-26(4,5)23(20)27/h6-9,12-13,20,23,34,36H,10H2,1-5H3/t20-,23-/m0/s1
InChIKeyDPIDCRDILRBRKR-REWPJTCUSA-N
XLogP3.77
TPSA134.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The IUPAC name of 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (CID 155287340) is 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.
What is the SMILES notation for 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The canonical SMILES for 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.
What is the InChIKey of 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The InChIKey is DPIDCRDILRBRKR-REWPJTCUSA-N. The full InChI is InChI=1S/C26H27FN8O2/c1-14-13-35-24(30-14)15(11-28)8-18(33-35)16-9-19(36)22(29-12-16)17-6-7-21(32-31-17)37-20-10-25(2,3)34-26(4,5)23(20)27/h6-9,12-13,20,23,34,36H,10H2,1-5H3/t20-,23-/m0/s1.
What are the key properties of 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile has a molecular weight of 502.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is sourced from PubChem (CID 155287340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).