About 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione (PubChem CID 159494333) has the molecular formula C145H162N28O18S4
and a molecular weight of 2713.34 g/mol. Its IUPAC name is 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
The IUPAC name of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione (CID 159494333) is 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione.
What is the SMILES notation for 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
The canonical SMILES for 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione is C[C@@H](Cc1ccco1)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCCC1)C3=O.Cc1ccccc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCCC1)C3=O.Cc1ccccc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccsc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN(C)CCS(C)(=O)=O)C3.Cc1ccsc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN(C)CCS(C)(=O)=O)C3=O.
What is the InChIKey of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
The InChIKey is LYOZTSFRHUDECA-WMBOWPMVSA-N. The full InChI is InChI=1S/C30H32N6O3.C30H34N6O2.C29H33N5O5S2.C29H35N5O4S2.C27H28N6O4/c1-18-7-3-4-8-20(18)15-19(2)32-23-9-10-31-28(37)26(23)27-33-24-16-21-22(17-25(24)34-27)30(39)36(29(21)38)14-13-35-11-5-6-12-35;1-19-7-3-4-8-21(19)15-20(2)32-24-9-10-31-29(37)27(24)28-33-25-16-22-18-36(14-13-35-11-5-6-12-35)30(38)23(22)17-26(25)34-28;1-17-6-11-40-25(17)13-18(2)31-22-5-7-30-27(35)26(22)24-15-19-14-20-21(16-23(19)32-24)29(37)34(28(20)36)9-8-33(3)10-12-41(4,38)39;1-18-6-11-39-26(18)13-19(2)31-23-5-7-30-28(35)27(23)25-15-20-14-22-21(16-24(20)32-25)17-34(29(22)36)9-8-33(3)10-12-40(4,37)38;1-16(13-17-5-4-12-37-17)29-20-6-7-28-25(34)23(20)24-30-21-14-18-19(15-22(21)31-24)27(36)33(26(18)35)11-10-32-8-2-3-9-32/h3-4,7-10,16-17,19H,5-6,11-15H2,1-2H3,(H,33,34)(H2,31,32,37);3-4,7-10,16-17,20H,5-6,11-15,18H2,1-2H3,(H,33,34)(H2,31,32,37);5-7,11,14,16,18H,8-10,12-13,15H2,1-4H3,(H2,30,31,35);5-7,11,14,16,19H,8-10,12-13,15,17H2,1-4H3,(H2,30,31,35);4-7,12,14-16H,2-3,8-11,13H2,1H3,(H,30,31)(H2,28,29,34)/t19-;20-;18-;19-;16-/m00000/s1.
What are the key properties of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione has a molecular weight of 2713.34 g/mol, XLogP of 17.96, 46 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione is sourced from PubChem (CID 159494333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).