About 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 161133504) has the molecular formula C132H158N20O13
and a molecular weight of 2232.84 g/mol. Its IUPAC name is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 161133504) is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide is CCNC1=NCc2cc(CC(=O)C[C@H](COC)c3ccccc3)ncc21.CCNC1=NCc2cc(CC(=O)N[C@@H](COC)c3ccc(C)cc3)ncc21.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCO[C@@H](C)C1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(NC(C)C)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CCOCC1)=NC2)c1ccccc1.Cc1ccc([C@@H](C)CC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)cc1.
What is the InChIKey of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is UMMQJWZKROKNNG-XVMXCZKKSA-N. The full InChI is InChI=1S/C24H29N3O3.C23H27N3O2.C22H27N3O2.C21H24N4O2.C21H26N4O2.C21H25N3O2/c1-17-15-27(8-9-30-17)24-23-14-25-21(10-19(23)13-26-24)12-22(28)11-20(16-29-2)18-6-4-3-5-7-18;1-16-3-5-18(6-4-16)17(2)11-21(27)13-20-12-19-14-25-23(22(19)15-24-20)26-7-9-28-10-8-26;1-15(2)25-22-21-13-23-19(9-17(21)12-24-22)11-20(26)10-18(14-27-3)16-7-5-4-6-8-16;1-15(16-5-3-2-4-6-16)24-20(26)12-18-11-17-13-23-21(19(17)14-22-18)25-7-9-27-10-8-25;1-4-22-21-18-12-23-17(9-16(18)11-24-21)10-20(26)25-19(13-27-3)15-7-5-14(2)6-8-15;1-3-22-21-20-13-23-18(9-16(20)12-24-21)11-19(25)10-17(14-26-2)15-7-5-4-6-8-15/h3-7,10,14,17,20H,8-9,11-13,15-16H2,1-2H3;3-6,12,15,17H,7-11,13-14H2,1-2H3;4-9,13,15,18H,10-12,14H2,1-3H3,(H,24,25);2-6,11,14-15H,7-10,12-13H2,1H3,(H,24,26);5-9,12,19H,4,10-11,13H2,1-3H3,(H,22,24)(H,25,26);4-9,13,17H,3,10-12,14H2,1-2H3,(H,22,24)/t17-,20+;17-;18-;15-;19-;17-/m001101/s1.
What are the key properties of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 2232.84 g/mol, XLogP of 16.84, 39 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-[3-(propan-2-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]pentan-2-one;(4S)-4-(4-methylphenyl)-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 161133504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).