7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride

C44H47Cl2F2N11 — CID 159964386

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride
SMILESCc1cc(-c2cc(F)c3cc(C4CCNCC4)ncc3c2)cc2cn(C)nc12.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C)CC5)nnc4c3)cc(C)c2n1.Cl.Cl
InChIInChI=1S/C23H23FN4.C21H22FN7.2ClH/c1-14-7-16(9-19-13-28(2)27-23(14)19)17-8-18-12-26-22(11-20(18)21(24)10-17)15-3-5-25-6-4-15;1-12-8-17(27-29-11-13(2)23-21(12)29)15-9-16(22)19-18(10-15)25-26-20(24-19)14-4-6-28(3)7-5-14;;/h7-13,15,25H,3-6H2,1-2H3;8-11,14H,4-7H2,1-3H3;2*1H
InChIKeyNVOFEFJESFIQCG-UHFFFAOYSA-N
MW838.84 g/mol
LogP8.85
Rot. Bonds4

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride (PubChem CID 159964386) has the molecular formula C44H47Cl2F2N11 and a molecular weight of 838.84 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride
PubChem CID159964386
Molecular FormulaC44H47Cl2F2N11
Molecular Weight838.84 g/mol
Exact Mass837.34
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride
SMILESCc1cc(-c2cc(F)c3cc(C4CCNCC4)ncc3c2)cc2cn(C)nc12.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C)CC5)nnc4c3)cc(C)c2n1.Cl.Cl
InChIInChI=1S/C23H23FN4.C21H22FN7.2ClH/c1-14-7-16(9-19-13-28(2)27-23(14)19)17-8-18-12-26-22(11-20(18)21(24)10-17)15-3-5-25-6-4-15;1-12-8-17(27-29-11-13(2)23-21(12)29)15-9-16(22)19-18(10-15)25-26-20(24-19)14-4-6-28(3)7-5-14;;/h7-13,15,25H,3-6H2,1-2H3;8-11,14H,4-7H2,1-3H3;2*1H
InChIKeyNVOFEFJESFIQCG-UHFFFAOYSA-N
XLogP8.85
TPSA114.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.84
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride with MolForge

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Related Compounds

6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
CID 153495802
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
CID 146585408
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
CID 146585498
7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine
CID 157458752
2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
CID 158932290
3-[(2S,6S)-2,6-diethyl-1-methylpiperidin-4-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnoline
CID 146585528
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1-(2-fluoroethyl)-2,6-dimethylpiperidin-4-yl]cinnoline
CID 137357742
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;2-methylpropane
CID 170593728
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline
CID 146585391
3-[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnoline;trihydrochloride
CID 153495809
7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062

Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride (CID 159964386) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride is Cc1cc(-c2cc(F)c3cc(C4CCNCC4)ncc3c2)cc2cn(C)nc12.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C)CC5)nnc4c3)cc(C)c2n1.Cl.Cl.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride?
The InChIKey is NVOFEFJESFIQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4.C21H22FN7.2ClH/c1-14-7-16(9-19-13-28(2)27-23(14)19)17-8-18-12-26-22(11-20(18)21(24)10-17)15-3-5-25-6-4-15;1-12-8-17(27-29-11-13(2)23-21(12)29)15-9-16(22)19-18(10-15)25-26-20(24-19)14-4-6-28(3)7-5-14;;/h7-13,15,25H,3-6H2,1-2H3;8-11,14H,4-7H2,1-3H3;2*1H.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride has a molecular weight of 838.84 g/mol, XLogP of 8.85, 4 rotatable bonds, 1 hydrogen bond donors, and 11 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-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride is sourced from PubChem (CID 159964386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).