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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one

C117H126F6N22O8S — CID 159267295

About 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one

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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one (PubChem CID 159267295) has the molecular formula C117H126F6N22O8S and a molecular weight of 2114.50 g/mol. Its IUPAC name is 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one.

Molecular Properties

• Compound Name: 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one
• PubChem CID: 159267295
• Molecular Formula: C117H126F6N22O8S
• Molecular Weight: 2114.50 g/mol
• Exact Mass: 2112.98
• IUPAC Name: 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one
• SMILES: C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.C[C@@H](Cc1cccs1)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCCN1CCCC1)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
• InChI: InChI=1S/C31H34FN5O2.C29H28F4N6O2.C29H33N5O2S.C28H31FN6O2/c1-19-5-6-24(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;1-15(10-18-25(32)19(30)13-20(31)26(18)33)35-21-4-5-34-28(40)24(21)27-36-22-11-16-14-39(9-8-38-6-2-3-7-38)29(41)17(16)12-23(22)37-27;1-19(14-22-6-4-13-37-22)31-24-7-8-30-28(35)27(24)26-16-20-15-23-21(17-25(20)32-26)18-34(29(23)36)12-5-11-33-9-2-3-10-33;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/h5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);4-5,11-13,15H,2-3,6-10,14H2,1H3,(H,36,37)(H2,34,35,40);4,6-8,13,15,17,19H,2-3,5,9-12,14,16,18H2,1H3,(H2,30,31,35);5-8,12-14,17H,9-11,15H2,1-4H3,(H,32,33)(H2,30,31,36)/t20-;15-;19-;17-/m0000/s1
• InChIKey: KXGORLJJSFIQIQ-DAWHIDIOSA-N
• XLogP: 17.69
• TPSA: 355.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.50
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?

The IUPAC name of 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one (CID 159267295) is 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one.

What is the SMILES notation for 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?

The canonical SMILES for 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one is C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.C[C@@H](Cc1cccs1)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCCN1CCCC1)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.

What is the InChIKey of 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?

The InChIKey is KXGORLJJSFIQIQ-DAWHIDIOSA-N. The full InChI is InChI=1S/C31H34FN5O2.C29H28F4N6O2.C29H33N5O2S.C28H31FN6O2/c1-19-5-6-24(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;1-15(10-18-25(32)19(30)13-20(31)26(18)33)35-21-4-5-34-28(40)24(21)27-36-22-11-16-14-39(9-8-38-6-2-3-7-38)29(41)17(16)12-23(22)37-27;1-19(14-22-6-4-13-37-22)31-24-7-8-30-28(35)27(24)26-16-20-15-23-21(17-25(20)32-26)18-34(29(23)36)12-5-11-33-9-2-3-10-33;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/h5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);4-5,11-13,15H,2-3,6-10,14H2,1H3,(H,36,37)(H2,34,35,40);4,6-8,13,15,17,19H,2-3,5,9-12,14,16,18H2,1H3,(H2,30,31,35);5-8,12-14,17H,9-11,15H2,1-4H3,(H,32,33)(H2,30,31,36)/t20-;15-;19-;17-/m0000/s1.

What are the key properties of 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one?

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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one has a molecular weight of 2114.50 g/mol, XLogP of 17.69, 33 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(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-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one is sourced from PubChem (CID 159267295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).