About 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile (PubChem CID 160922876) has the molecular formula C100H84Br2FN13O9
and a molecular weight of 1790.66 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile.
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Frequently Asked Questions
What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile (CID 160922876) is 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile is CCCn1cc(C#N)c2cc(Br)ccc21.CCOC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(Br)ccc21.Cc1ccc2c(C#N)cn(-c3ccc4c(c3)OCO4)c2c1.N#Cc1cn(-c2ccc3c(c2)OCO3)c2cc(F)ccc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
The InChIKey is SSGJRNQQELCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.C21H20N2O3.C17H12N2O2.C16H9FN2O2.C12H11BrN2.C11H9BrN2/c1-3-26-21-14-18(28-2)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)23(27)25-12-4-5-13-25;1-4-23-19-12-16(25-3)10-11-17(19)18(13-22)20(23)14-6-8-15(9-7-14)21(24)26-5-2;1-11-2-4-14-12(8-18)9-19(15(14)6-11)13-3-5-16-17(7-13)21-10-20-16;17-11-1-3-13-10(7-18)8-19(14(13)5-11)12-2-4-15-16(6-12)21-9-20-15;1-2-5-15-8-9(7-14)11-6-10(13)3-4-12(11)15;1-2-14-7-8(6-13)10-5-9(12)3-4-11(10)14/h6-11,14H,3-5,12-13H2,1-2H3;6-12H,4-5H2,1-3H3;2-7,9H,10H2,1H3;1-6,8H,9H2;3-4,6,8H,2,5H2,1H3;3-5,7H,2H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile has a molecular weight of 1790.66 g/mol, XLogP of 22.72, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 160922876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).