About 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide
2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 161307181) has the molecular formula C138H124Br2N24O13
and a molecular weight of 2486.47 g/mol. Its IUPAC name is 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide (CID 161307181) is 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide is O=C(CC1C[C@H]2CC[C@@H]1C2)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.O=C(CCC1CCCCC1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.O=C(CCOc1ccccc1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)C1Cc2ccccc2C1.O=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)[C@@H]1C[C@H]1c1ccccc1.O=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VIKHYAMVVYHHKK-IYMUNHRQSA-N. The full InChI is InChI=1S/2C24H20N4O2.C23H20N4O3.C23H24N4O2.C23H26N4O2.C21H14Br2N4O2/c29-22(16-8-14-4-1-2-5-15(14)9-16)27-20-10-17-11-24(12-18(17)13-26-20)19-6-3-7-25-21(19)28-23(24)30;29-22(18-10-17(18)14-5-2-1-3-6-14)27-20-9-15-11-24(12-16(15)13-26-20)19-7-4-8-25-21(19)28-23(24)30;28-20(8-10-30-17-5-2-1-3-6-17)26-16-11-15-12-23(13-19(15)25-14-16)18-7-4-9-24-21(18)27-22(23)29;28-20(9-15-7-13-3-4-14(15)6-13)26-19-8-16-10-23(11-17(16)12-25-19)18-2-1-5-24-21(18)27-22(23)29;28-20(9-8-15-5-2-1-3-6-15)26-19-11-16-12-23(13-17(16)14-25-19)18-7-4-10-24-21(18)27-22(23)29;22-14-4-11(5-15(23)7-14)19(28)26-17-6-12-8-21(9-13(12)10-25-17)16-2-1-3-24-18(16)27-20(21)29/h1-7,10,13,16H,8-9,11-12H2,(H,25,28,30)(H,26,27,29);1-9,13,17-18H,10-12H2,(H,25,28,30)(H,26,27,29);1-7,9,11,14H,8,10,12-13H2,(H,26,28)(H,24,27,29);1-2,5,8,12-15H,3-4,6-7,9-11H2,(H,24,27,29)(H,25,26,28);4,7,10-11,14-15H,1-3,5-6,8-9,12-13H2,(H,24,27,29)(H,25,26,28);1-7,10H,8-9H2,(H,24,27,29)(H,25,26,28)/t;17-,18+,24?;;13-,14+,15?,23?;;/m.0.0../s1.
What are the key properties of 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 2486.47 g/mol, XLogP of 20.14, 19 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;3-cyclohexyl-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)propanamide;3,5-dibromo-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)benzamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)-3-phenoxypropanamide;N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2,3-dihydro-1H-indene-2-carboxamide;trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 161307181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).