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

C23H24F2N6 — CID 146585408

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCN(CCF)CC5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C23H24F2N6/c1-14-9-21(29-31-13-15(2)26-23(14)31)17-10-19(25)18-12-20(27-28-22(18)11-17)16-3-6-30(7-4-16)8-5-24/h9-13,16H,3-8H2,1-2H3
InChIKeyVSDWOTVQGBTCIK-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.24
Rot. Bonds4

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

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline (PubChem CID 146585408) has the molecular formula C23H24F2N6 and a molecular weight of 422.48 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
PubChem CID146585408
Molecular FormulaC23H24F2N6
Molecular Weight422.48 g/mol
Exact Mass422.20
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCN(CCF)CC5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C23H24F2N6/c1-14-9-21(29-31-13-15(2)26-23(14)31)17-10-19(25)18-12-20(27-28-22(18)11-17)16-3-6-30(7-4-16)8-5-24/h9-13,16H,3-8H2,1-2H3
InChIKeyVSDWOTVQGBTCIK-UHFFFAOYSA-N
XLogP4.24
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.24
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-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline (CID 146585408) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline is Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCF)CC5)nnc4c3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline?
The InChIKey is VSDWOTVQGBTCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6/c1-14-9-21(29-31-13-15(2)26-23(14)31)17-10-19(25)18-12-20(27-28-22(18)11-17)16-3-6-30(7-4-16)8-5-24/h9-13,16H,3-8H2,1-2H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline has a molecular weight of 422.48 g/mol, XLogP of 4.24, 4 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-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline is sourced from PubChem (CID 146585408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).