6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride

C22H23Cl4FN6 — CID 172750757

IUPAC6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
SMILESCc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(C#N)c2n1.Cl.Cl.Cl.Cl
InChIInChI=1S/C22H19FN6.4ClH/c1-13-11-29-12-17(6-16(10-24)22(29)26-13)15-7-19(23)18-9-20(27-28-21(18)8-15)14-2-4-25-5-3-14;;;;/h6-9,11-12,14,25H,2-5H2,1H3;4*1H
InChIKeyKILNQOJELYPIIK-UHFFFAOYSA-N
MW532.28 g/mol
LogP5.42
Rot. Bonds2

About 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride

6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride (PubChem CID 172750757) has the molecular formula C22H23Cl4FN6 and a molecular weight of 532.28 g/mol. Its IUPAC name is 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride.

Molecular Properties

Compound Name6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
PubChem CID172750757
Molecular FormulaC22H23Cl4FN6
Molecular Weight532.28 g/mol
Exact Mass530.07
IUPAC Name6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
SMILESCc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(C#N)c2n1.Cl.Cl.Cl.Cl
InChIInChI=1S/C22H19FN6.4ClH/c1-13-11-29-12-17(6-16(10-24)22(29)26-13)15-7-19(23)18-9-20(27-28-21(18)8-15)14-2-4-25-5-3-14;;;;/h6-9,11-12,14,25H,2-5H2,1H3;4*1H
InChIKeyKILNQOJELYPIIK-UHFFFAOYSA-N
XLogP5.42
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride
CID 146585605
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
CID 142492349
6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
CID 153495802
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 153383364
2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]thiazolo[5,4-c]pyridine;formic acid
CID 146585641
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 146585455
6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
CID 177038494
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
5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
CID 142492339
5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride
CID 175962156
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
CID 146585408

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride?
The IUPAC name of 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride (CID 172750757) is 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride.
What is the SMILES notation for 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride?
The canonical SMILES for 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride is Cc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(C#N)c2n1.Cl.Cl.Cl.Cl.
What is the InChIKey of 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride?
The InChIKey is KILNQOJELYPIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6.4ClH/c1-13-11-29-12-17(6-16(10-24)22(29)26-13)15-7-19(23)18-9-20(27-28-21(18)8-15)14-2-4-25-5-3-14;;;;/h6-9,11-12,14,25H,2-5H2,1H3;4*1H.
What are the key properties of 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride?
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride has a molecular weight of 532.28 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride is sourced from PubChem (CID 172750757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).