3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride

C22H25Cl2FN6 — CID 146585439

IUPAC3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
SMILESCCN1CCC(c2cc3c(F)cc(-c4ccc5nc(C)cn5n4)cc3nn2)CC1.Cl.Cl
InChIInChI=1S/C22H23FN6.2ClH/c1-3-28-8-6-15(7-9-28)20-12-17-18(23)10-16(11-21(17)26-25-20)19-4-5-22-24-14(2)13-29(22)27-19;;/h4-5,10-13,15H,3,6-9H2,1-2H3;2*1H
InChIKeySFBBLLGXYCTHKP-UHFFFAOYSA-N
MW463.39 g/mol
LogP4.83
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride

3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride (PubChem CID 146585439) has the molecular formula C22H25Cl2FN6 and a molecular weight of 463.39 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
PubChem CID146585439
Molecular FormulaC22H25Cl2FN6
Molecular Weight463.39 g/mol
Exact Mass462.15
IUPAC Name3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
SMILESCCN1CCC(c2cc3c(F)cc(-c4ccc5nc(C)cn5n4)cc3nn2)CC1.Cl.Cl
InChIInChI=1S/C22H23FN6.2ClH/c1-3-28-8-6-15(7-9-28)20-12-17-18(23)10-16(11-21(17)26-25-20)19-4-5-22-24-14(2)13-29(22)27-19;;/h4-5,10-13,15H,3,6-9H2,1-2H3;2*1H
InChIKeySFBBLLGXYCTHKP-UHFFFAOYSA-N
XLogP4.83
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride (CID 146585439) is 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride is CCN1CCC(c2cc3c(F)cc(-c4ccc5nc(C)cn5n4)cc3nn2)CC1.Cl.Cl.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride?
The InChIKey is SFBBLLGXYCTHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6.2ClH/c1-3-28-8-6-15(7-9-28)20-12-17-18(23)10-16(11-21(17)26-25-20)19-4-5-22-24-14(2)13-29(22)27-19;;/h4-5,10-13,15H,3,6-9H2,1-2H3;2*1H.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride?
3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride has a molecular weight of 463.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride is sourced from PubChem (CID 146585439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).