7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline

C24H27FN6 — CID 146585498

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5C[C@H](C)N(C)[C@@H](C)C5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C24H27FN6/c1-13-6-22(29-31-12-14(2)26-24(13)31)18-9-20(25)19-11-21(27-28-23(19)10-18)17-7-15(3)30(5)16(4)8-17/h6,9-12,15-17H,7-8H2,1-5H3/t15-,16-/m0/s1
InChIKeyJDQXKAQQVFHRQG-HOTGVXAUSA-N
MW418.52 g/mol
LogP4.68
Rot. Bonds2

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline (PubChem CID 146585498) has the molecular formula C24H27FN6 and a molecular weight of 418.52 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
PubChem CID146585498
Molecular FormulaC24H27FN6
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5C[C@H](C)N(C)[C@@H](C)C5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C24H27FN6/c1-13-6-22(29-31-12-14(2)26-24(13)31)18-9-20(25)19-11-21(27-28-23(19)10-18)17-7-15(3)30(5)16(4)8-17/h6,9-12,15-17H,7-8H2,1-5H3/t15-,16-/m0/s1
InChIKeyJDQXKAQQVFHRQG-HOTGVXAUSA-N
XLogP4.68
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline (CID 146585498) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline is Cc1cn2nc(-c3cc(F)c4cc(C5C[C@H](C)N(C)[C@@H](C)C5)nnc4c3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline?
The InChIKey is JDQXKAQQVFHRQG-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H27FN6/c1-13-6-22(29-31-12-14(2)26-24(13)31)18-9-20(25)19-11-21(27-28-23(19)10-18)17-7-15(3)30(5)16(4)8-17/h6,9-12,15-17H,7-8H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline has a molecular weight of 418.52 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline is sourced from PubChem (CID 146585498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).