5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride

C21H22Cl2FN5 — CID 146585605

IUPAC5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride
SMILESCc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)ccc2n1.Cl.Cl
InChIInChI=1S/C21H20FN5.2ClH/c1-13-11-27-12-15(2-3-21(27)24-13)16-8-18(22)17-10-19(25-26-20(17)9-16)14-4-6-23-7-5-14;;/h2-3,8-12,14,23H,4-7H2,1H3;2*1H
InChIKeyIYGLEFSPZIAXJO-UHFFFAOYSA-N
MW434.35 g/mol
LogP4.70
Rot. Bonds2

About 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride

5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride (PubChem CID 146585605) has the molecular formula C21H22Cl2FN5 and a molecular weight of 434.35 g/mol. Its IUPAC name is 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride
PubChem CID146585605
Molecular FormulaC21H22Cl2FN5
Molecular Weight434.35 g/mol
Exact Mass433.12
IUPAC Name5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride
SMILESCc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)ccc2n1.Cl.Cl
InChIInChI=1S/C21H20FN5.2ClH/c1-13-11-27-12-15(2-3-21(27)24-13)16-8-18(22)17-10-19(25-26-20(17)9-16)14-4-6-23-7-5-14;;/h2-3,8-12,14,23H,4-7H2,1H3;2*1H
InChIKeyIYGLEFSPZIAXJO-UHFFFAOYSA-N
XLogP4.70
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride with MolForge

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Related Compounds

5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
CID 142492349
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
CID 172750757
2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]thiazolo[5,4-c]pyridine;formic acid
CID 146585641
3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
CID 146585439
5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride
CID 175962156
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
CID 168895636
5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
CID 142492339
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 146585455
6-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridine
CID 84684716
2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine
CID 162074282
6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
CID 153495802

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride?
The IUPAC name of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride (CID 146585605) is 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride.
What is the SMILES notation for 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride?
The canonical SMILES for 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride is Cc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)ccc2n1.Cl.Cl.
What is the InChIKey of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride?
The InChIKey is IYGLEFSPZIAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5.2ClH/c1-13-11-27-12-15(2-3-21(27)24-13)16-8-18(22)17-10-19(25-26-20(17)9-16)14-4-6-23-7-5-14;;/h2-3,8-12,14,23H,4-7H2,1H3;2*1H.
What are the key properties of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride?
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride has a molecular weight of 434.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride is sourced from PubChem (CID 146585605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).