About 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (PubChem CID 157309938) has the molecular formula C148H182F6N18O20
and a molecular weight of 2647.18 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (CID 157309938) is 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3(F)F)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1cn(C)c2nccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1cn(C)c2nccc(C3CC3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.Cc1ccnc2[nH]cc(C(CC(=O)N3CCC(C(=O)O)C4CCCCC43)C(C)C)c12.
What is the InChIKey of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The InChIKey is BCXOYYRSTCXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4.C25H27F2N3O4.C25H33N3O3.C24H29F2N3O3.C24H30FN3O3.C24H33N3O3/c1-15(13-23(31)30-12-4-6-16-17(26(32)33)5-3-7-20(16)30)19-14-29(2)25-24(19)18(10-11-28-25)21-8-9-22(27)34-21;1-25(27,13-21(31)30-12-4-7-14-15(24(32)33)5-3-9-18(14)30)23-22-16(19-10-11-20(26)34-19)6-2-8-17(22)28-29-23;1-15(20-14-27(2)24-23(20)17(10-11-26-24)16-8-9-16)13-22(29)28-12-4-6-18-19(25(30)31)5-3-7-21(18)28;1-13(22-21-16(17-12-24(17,25)26)6-2-8-18(21)27-28-22)11-20(30)29-10-4-7-14-15(23(31)32)5-3-9-19(14)29;1-24(25,22-21-15(14-10-11-14)5-2-8-18(21)26-27-22)13-20(29)28-12-4-7-16-17(23(30)31)6-3-9-19(16)28;1-14(2)18(19-13-26-23-22(19)15(3)8-10-25-23)12-21(28)27-11-9-17(24(29)30)16-6-4-5-7-20(16)27/h8-11,14-17,20H,3-7,12-13H2,1-2H3,(H,32,33);2,6,8,10-11,14-15,18H,3-5,7,9,12-13H2,1H3,(H,28,29)(H,32,33);10-11,14-16,18-19,21H,3-9,12-13H2,1-2H3,(H,30,31);2,6,8,13-15,17,19H,3-5,7,9-12H2,1H3,(H,27,28)(H,31,32);2,5,8,14,16-17,19H,3-4,6-7,9-13H2,1H3,(H,26,27)(H,30,31);8,10,13-14,16-18,20H,4-7,9,11-12H2,1-3H3,(H,25,26)(H,29,30).
What are the key properties of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid has a molecular weight of 2647.18 g/mol, XLogP of 28.09, 30 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 157309938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).