About 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 159861074) has the molecular formula C139H174N24O14S
and a molecular weight of 2437.14 g/mol. Its IUPAC name is 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The IUPAC name of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (CID 159861074) is 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.
What is the SMILES notation for 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The canonical SMILES for 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(C)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(CCS(C)(=O)=O)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(CCCN2CCCC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(CCN2CCCC2)C4=O)c(C)c1C.
What is the InChIKey of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The InChIKey is NRDPIFZTSJATAL-FESUDLEGSA-N. The full InChI is InChI=1S/C36H46N6O5S.C35H44N6O3.2C34H42N6O3/c1-20-21(2)23(4)28(24(5)22(20)3)16-26(19-43)38-30-7-10-37-35(44)33(30)34-39-31-15-25-18-42(36(45)29(25)17-32(31)40-34)27-8-11-41(12-9-27)13-14-48(6,46)47;1-20-21(2)23(4)27(24(5)22(20)3)16-26(19-42)37-29-9-10-36-34(43)32(29)33-38-30-15-25-18-41(14-8-13-40-11-6-7-12-40)35(44)28(25)17-31(30)39-33;1-18-19(2)21(4)26(22(5)20(18)3)14-24(17-41)36-28-7-10-35-33(42)31(28)32-37-29-13-23-16-40(25-8-11-39(6)12-9-25)34(43)27(23)15-30(29)38-32;1-19-20(2)22(4)26(23(5)21(19)3)15-25(18-41)36-28-8-9-35-33(42)31(28)32-37-29-14-24-17-40(13-12-39-10-6-7-11-39)34(43)27(24)16-30(29)38-32/h7,10,15,17,26-27,43H,8-9,11-14,16,18-19H2,1-6H3,(H,39,40)(H2,37,38,44);9-10,15,17,26,42H,6-8,11-14,16,18-19H2,1-5H3,(H,38,39)(H2,36,37,43);7,10,13,15,24-25,41H,8-9,11-12,14,16-17H2,1-6H3,(H,37,38)(H2,35,36,42);8-9,14,16,25,41H,6-7,10-13,15,17-18H2,1-5H3,(H,37,38)(H2,35,36,42)/t2*26-;24-;25-/m1111/s1.
What are the key properties of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 2437.14 g/mol, XLogP of 17.91, 36 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)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-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 159861074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).