6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride

C22H23Cl3FN7 — CID 153495802

IUPAC6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCN(C)CC5)nnc4c3)cc(C#N)c2n1.Cl.Cl.Cl
InChIInChI=1S/C22H20FN7.3ClH/c1-13-12-30-22(25-13)16(11-24)9-20(28-30)15-7-18(23)17-10-19(26-27-21(17)8-15)14-3-5-29(2)6-4-14;;;/h7-10,12,14H,3-6H2,1-2H3;3*1H
InChIKeyFWIKBWBHBWYFTR-UHFFFAOYSA-N
MW510.83 g/mol
LogP4.73
Rot. Bonds2

About 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride

6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride (PubChem CID 153495802) has the molecular formula C22H23Cl3FN7 and a molecular weight of 510.83 g/mol. Its IUPAC name is 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride.

Molecular Properties

Compound Name6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
PubChem CID153495802
Molecular FormulaC22H23Cl3FN7
Molecular Weight510.83 g/mol
Exact Mass509.11
IUPAC Name6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCN(C)CC5)nnc4c3)cc(C#N)c2n1.Cl.Cl.Cl
InChIInChI=1S/C22H20FN7.3ClH/c1-13-12-30-22(25-13)16(11-24)9-20(28-30)15-7-18(23)17-10-19(26-27-21(17)8-15)14-3-5-29(2)6-4-14;;;/h7-10,12,14H,3-6H2,1-2H3;3*1H
InChIKeyFWIKBWBHBWYFTR-UHFFFAOYSA-N
XLogP4.73
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
CID 146585408
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
CID 146585498
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
CID 172750757
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
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
3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
CID 146585439
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
2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
CID 158932290
5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
CID 142492339
(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 146626137

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride?
The IUPAC name of 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride (CID 153495802) is 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride.
What is the SMILES notation for 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride?
The canonical SMILES for 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride is Cc1cn2nc(-c3cc(F)c4cc(C5CCN(C)CC5)nnc4c3)cc(C#N)c2n1.Cl.Cl.Cl.
What is the InChIKey of 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride?
The InChIKey is FWIKBWBHBWYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7.3ClH/c1-13-12-30-22(25-13)16(11-24)9-20(28-30)15-7-18(23)17-10-19(26-27-21(17)8-15)14-3-5-29(2)6-4-14;;;/h7-10,12,14H,3-6H2,1-2H3;3*1H.
What are the key properties of 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride?
6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride has a molecular weight of 510.83 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride is sourced from PubChem (CID 153495802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).