7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline

C23H25FN6 — CID 146585458

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline
SMILESCCN1CCC(c2cc3c(F)cc(-c4cc(C)c5nc(C)cn5n4)cc3nn2)CC1
InChIInChI=1S/C23H25FN6/c1-4-29-7-5-16(6-8-29)20-12-18-19(24)10-17(11-22(18)27-26-20)21-9-14(2)23-25-15(3)13-30(23)28-21/h9-13,16H,4-8H2,1-3H3
InChIKeyAPXTULSKNLWAOS-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.29
Rot. Bonds3

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline (PubChem CID 146585458) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline
PubChem CID146585458
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline
SMILESCCN1CCC(c2cc3c(F)cc(-c4cc(C)c5nc(C)cn5n4)cc3nn2)CC1
InChIInChI=1S/C23H25FN6/c1-4-29-7-5-16(6-8-29)20-12-18-19(24)10-17(11-22(18)27-26-20)21-9-14(2)23-25-15(3)13-30(23)28-21/h9-13,16H,4-8H2,1-3H3
InChIKeyAPXTULSKNLWAOS-UHFFFAOYSA-N
XLogP4.29
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.29
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)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline (CID 146585458) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline is CCN1CCC(c2cc3c(F)cc(-c4cc(C)c5nc(C)cn5n4)cc3nn2)CC1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline?
The InChIKey is APXTULSKNLWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-4-29-7-5-16(6-8-29)20-12-18-19(24)10-17(11-22(18)27-26-20)21-9-14(2)23-25-15(3)13-30(23)28-21/h9-13,16H,4-8H2,1-3H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline has a molecular weight of 404.49 g/mol, XLogP of 4.29, 3 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)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline is sourced from PubChem (CID 146585458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).