bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

C166H160F24N32O12 — CID 157080824

About bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 157080824) has the molecular formula C166H160F24N32O12 and a molecular weight of 3251.27 g/mol. Its IUPAC name is bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

• Compound Name: bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
• PubChem CID: 157080824
• Molecular Formula: C166H160F24N32O12
• Molecular Weight: 3251.27 g/mol
• Exact Mass: 3249.25
• IUPAC Name: bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
• SMILES: C[C@@H](Cc1c(F)c(F)cc(F)c1F)/N=C1\C=CNC(=O)C1C1=Cc2cc3c(cc2C1)C(=O)N(CCN(C)C)C3.C[C@@H](Cc1c(F)c(F)cc(F)c1F)/N=C1\C=CNC(=O)C1c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN(C)C)C3.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN(C)C)C3
• InChI: InChI=1S/C29H28F4N4O2.2C28H27F4N5O2.3C27H26F4N6O2/c1-15(8-21-26(32)22(30)13-23(31)27(21)33)35-24-4-5-34-28(38)25(24)18-9-16-11-19-14-37(7-6-36(2)3)29(39)20(19)12-17(16)10-18;2*1-14(8-18-25(31)19(29)12-20(30)26(18)32)34-21-4-5-33-27(38)24(21)23-10-15-9-17-16(11-22(15)35-23)13-37(28(17)39)7-6-36(2)3;3*1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9,11-13,15,25H,6-8,10,14H2,1-3H3,(H,34,38);2*4-5,9,11-12,14H,6-8,10,13H2,1-3H3,(H2,33,34,38);2*4-5,9-11,13H,6-8,12H2,1-3H3,(H,34,35)(H2,32,33,38);4-5,9-11,13,22H,6-8,12H2,1-3H3,(H,32,38)(H,34,35)/b35-24+;;;;;33-19+/t15-,25?;2*14-;2*13-;13-,22?/m000000/s1
• InChIKey: ADNDHSNEPRMYEY-DWBRKAKTSA-N
• XLogP: 23.88
• TPSA: 514.54 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 46
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3251.27
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The IUPAC name of bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (CID 157080824) is bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

What is the SMILES notation for bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The canonical SMILES for bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is C[C@@H](Cc1c(F)c(F)cc(F)c1F)/N=C1\C=CNC(=O)C1C1=Cc2cc3c(cc2C1)C(=O)N(CCN(C)C)C3.C[C@@H](Cc1c(F)c(F)cc(F)c1F)/N=C1\C=CNC(=O)C1c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN(C)C)C3.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN(C)C)C3.

What is the InChIKey of bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The InChIKey is ADNDHSNEPRMYEY-DWBRKAKTSA-N. The full InChI is InChI=1S/C29H28F4N4O2.2C28H27F4N5O2.3C27H26F4N6O2/c1-15(8-21-26(32)22(30)13-23(31)27(21)33)35-24-4-5-34-28(38)25(24)18-9-16-11-19-14-37(7-6-36(2)3)29(39)20(19)12-17(16)10-18;2*1-14(8-18-25(31)19(29)12-20(30)26(18)32)34-21-4-5-33-27(38)24(21)23-10-15-9-17-16(11-22(15)35-23)13-37(28(17)39)7-6-36(2)3;3*1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9,11-13,15,25H,6-8,10,14H2,1-3H3,(H,34,38);2*4-5,9,11-12,14H,6-8,10,13H2,1-3H3,(H2,33,34,38);2*4-5,9-11,13H,6-8,12H2,1-3H3,(H,34,35)(H2,32,33,38);4-5,9-11,13,22H,6-8,12H2,1-3H3,(H,32,38)(H,34,35)/b35-24+;;;;;33-19+/t15-,25?;2*14-;2*13-;13-,22?/m000000/s1.

What are the key properties of bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 3251.27 g/mol, XLogP of 23.88, 46 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one);2-[2-(dimethylamino)ethyl]-6-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-1,5-dihydrocyclopenta[f]isoindol-3-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]imino-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 157080824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).