About 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one
2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one (PubChem CID 158536706) has the molecular formula C152H165ClF3N25O12
and a molecular weight of 2626.60 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one.
Frequently Asked Questions
What is the IUPAC name of 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?
The IUPAC name of 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one (CID 158536706) is 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one.
What is the SMILES notation for 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?
The canonical SMILES for 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one is Cc1c(F)cccc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1cccc(C)c1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.O=C1CC=C/C(=N\C[C@@H](O)c2cccc(Cl)c2)C1=C1Cc2cc3c(cc2N1)C(=O)N(CCN1CCCC1)C3=O.
What is the InChIKey of 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?
The InChIKey is ZYGKWYGRXJZHNW-HXBPBWGCSA-N. The full InChI is InChI=1S/C32H37N5O2.2C31H34FN5O2.C30H29ClN4O4.C28H31FN6O2/c1-20-7-6-8-21(2)25(20)15-22(3)34-27-9-10-33-31(38)30(27)29-17-23-16-26-24(18-28(23)35-29)19-37(32(26)39)14-13-36-11-4-5-12-36;1-19-5-6-24(32)14-21(19)13-20(2)34-26-7-8-33-30(38)29(26)28-16-22-15-25-23(17-27(22)35-28)18-37(31(25)39)12-11-36-9-3-4-10-36;1-19(14-21-6-5-7-25(32)20(21)2)34-26-8-9-33-30(38)29(26)28-16-22-15-24-23(17-27(22)35-28)18-37(31(24)39)13-12-36-10-3-4-11-36;31-20-6-3-5-18(13-20)27(37)17-32-23-7-4-8-26(36)28(23)25-15-19-14-21-22(16-24(19)33-25)30(39)35(29(21)38)12-11-34-9-1-2-10-34;1-16-5-6-20(29)12-18(16)11-17(2)31-22-7-8-30-27(36)25(22)26-32-23-13-19-15-35(10-9-34(3)4)28(37)21(19)14-24(23)33-26/h6-10,16,18,22H,4-5,11-15,17,19H2,1-3H3,(H2,33,34,38);5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);5-9,15,17,19H,3-4,10-14,16,18H2,1-2H3,(H2,33,34,38);3-7,13-14,16,27,33,37H,1-2,8-12,15,17H2;5-8,12-14,17H,9-11,15H2,1-4H3,(H,32,33)(H2,30,31,36)/b;;;28-25?,32-23+;/t22-;20-;19-;27-;17-/m00010/s1.
What are the key properties of 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?
2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one has a molecular weight of 2626.60 g/mol, XLogP of 21.84, 38 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]imino-6-oxocyclohex-3-en-1-ylidene]-6-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-f]indole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(3-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one is sourced from PubChem (CID 158536706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).