About N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 160797881) has the molecular formula C157H144Cl6FN19O16
and a molecular weight of 2784.71 g/mol. Its IUPAC name is N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
Frequently Asked Questions
What is the IUPAC name of N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 160797881) is N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone is Cc1ccc(C2(O)CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)cc1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccccc34)c2O1)N1CCCCC1.O=C(NC1CCCCC1)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(NCc1ccccc1)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.O=C(Nc1ccc(F)cc1)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.
What is the InChIKey of N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is SCRGJRSPBSXEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O3.C28H24ClFN4O3.C28H26ClN3O3.C27H24ClN3O3.C23H21ClN2O2.C22H22ClN3O2/c30-20-13-19-14-25(29(36)34-11-5-2-6-12-34)37-26(19)22(15-20)21-9-10-31-27-23(21)16-24(33-27)28(35)32-17-18-7-3-1-4-8-18;29-17-12-16-13-24(28(36)34-10-2-1-3-11-34)37-25(16)21(14-17)20-8-9-31-26-22(20)15-23(33-26)27(35)32-19-6-4-18(30)5-7-19;1-17-2-4-19(5-3-17)28(34)8-12-32(13-9-28)27(33)24-15-18-14-20(29)16-23(25(18)35-24)21-6-10-30-26-22(21)7-11-31-26;28-19-14-17-15-23(26(32)31-12-8-27(33,9-13-31)18-4-2-1-3-5-18)34-24(17)22(16-19)20-6-10-29-25-21(20)7-11-30-25;24-16-12-15-13-21(23(27)26-10-4-1-5-11-26)28-22(15)19(14-16)17-8-9-25-20-7-3-2-6-18(17)20;23-14-10-13-11-19(22(27)26-15-4-2-1-3-5-15)28-20(13)18(12-14)16-6-8-24-21-17(16)7-9-25-21/h1,3-4,7-10,13,15-16,25H,2,5-6,11-12,14,17H2,(H,31,33)(H,32,35);4-9,12,14-15,24H,1-3,10-11,13H2,(H,31,33)(H,32,35);2-7,10-11,14,16,24,34H,8-9,12-13,15H2,1H3,(H,30,31);1-7,10-11,14,16,23,33H,8-9,12-13,15H2,(H,29,30);2-3,6-9,12,14,21H,1,4-5,10-11,13H2;6-10,12,15,19H,1-5,11H2,(H,24,25)(H,26,27).
What are the key properties of N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 2784.71 g/mol, XLogP of 29.93, 20 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 160797881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).