5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile

C21H19FN6 — CID 170593538

IUPAC5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)cn4c3)cc(C#N)c2n1
InChIInChI=1S/C21H19FN6/c1-27-10-17-7-14(6-15(9-23)20(17)26-27)16-8-18(22)21-25-19(12-28(21)11-16)13-2-4-24-5-3-13/h6-8,10-13,24H,2-5H2,1H3
InChIKeyAMSJUKBCMKFFDO-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.37
Rot. Bonds2

About 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile

5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile (PubChem CID 170593538) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
PubChem CID170593538
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)cn4c3)cc(C#N)c2n1
InChIInChI=1S/C21H19FN6/c1-27-10-17-7-14(6-15(9-23)20(17)26-27)16-8-18(22)21-25-19(12-28(21)11-16)13-2-4-24-5-3-13/h6-8,10-13,24H,2-5H2,1H3
InChIKeyAMSJUKBCMKFFDO-UHFFFAOYSA-N
XLogP3.37
TPSA70.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
CID 137357468
5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
CID 153383267
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
CID 172750757
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698
2-(7-ethynyl-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051151
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
2-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 170593746
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680
5-[5-fluoro-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnolin-3-yl]-2-methylindazole-7-carbonitrile;hydrochloride
CID 146585473
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
6-(8-fluoro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593872

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile (CID 170593538) is 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile is Cn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)cn4c3)cc(C#N)c2n1.
What is the InChIKey of 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile?
The InChIKey is AMSJUKBCMKFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c1-27-10-17-7-14(6-15(9-23)20(17)26-27)16-8-18(22)21-25-19(12-28(21)11-16)13-2-4-24-5-3-13/h6-8,10-13,24H,2-5H2,1H3.
What are the key properties of 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile?
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile has a molecular weight of 374.42 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 170593538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).