2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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

C107H106Cl3FN20O12S — CID 158857828

About 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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 (PubChem CID 158857828) has the molecular formula C107H106Cl3FN20O12S and a molecular weight of 2021.58 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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.

Molecular Properties

• Compound Name: 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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
• PubChem CID: 158857828
• Molecular Formula: C107H106Cl3FN20O12S
• Molecular Weight: 2021.58 g/mol
• Exact Mass: 2018.71
• IUPAC Name: 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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
• SMILES: C[C@H](CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2Cl)cc[nH]c1=O)=N3)N(C)C.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.O=C1NC(=O)c2cc3c(cc21)CC(c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)=N3.O=C1c2cc3c(cc2C(=O)N1CCN1CCCC1)N=C(c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)C3
• InChI: InChI=1S/C29H28ClN5O4.C28H31FN6O2.C27H30ClN5O2S.C23H17ClN4O4/c30-19-5-3-4-17(12-19)25(36)16-32-22-6-7-31-27(37)26(22)24-14-18-13-20-21(15-23(18)33-24)29(39)35(28(20)38)11-10-34-8-1-2-9-34;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;1-15(9-24-20(28)6-8-36-24)30-21-5-7-29-26(34)25(21)23-11-17-10-19-18(12-22(17)31-23)14-33(27(19)35)13-16(2)32(3)4;24-13-3-1-2-11(6-13)19(29)10-26-16-4-5-25-23(32)20(16)18-8-12-7-14-15(9-17(12)27-18)22(31)28-21(14)30/h3-7,12-13,15,25,36H,1-2,8-11,14,16H2,(H2,31,32,37);5-8,12-14,17H,9-11,15H2,1-4H3,(H,32,33)(H2,30,31,36);5-8,10,12,15-16H,9,11,13-14H2,1-4H3,(H2,29,30,34);1-7,9,19,29H,8,10H2,(H2,25,26,32)(H,28,30,31)/t25-;17-;15-,16+;19-/m1001/s1
• InChIKey: JAGXMAUBONZHPR-KEMIVLAESA-N
• XLogP: 14.92
• TPSA: 419.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2021.58
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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?

The IUPAC name of 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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 (CID 158857828) is 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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.

What is the SMILES notation for 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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?

The canonical SMILES for 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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 is C[C@H](CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2Cl)cc[nH]c1=O)=N3)N(C)C.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O.O=C1NC(=O)c2cc3c(cc21)CC(c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)=N3.O=C1c2cc3c(cc2C(=O)N1CCN1CCCC1)N=C(c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)C3.

What is the InChIKey of 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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?

The InChIKey is JAGXMAUBONZHPR-KEMIVLAESA-N. The full InChI is InChI=1S/C29H28ClN5O4.C28H31FN6O2.C27H30ClN5O2S.C23H17ClN4O4/c30-19-5-3-4-17(12-19)25(36)16-32-22-6-7-31-27(37)26(22)24-14-18-13-20-21(15-23(18)33-24)29(39)35(28(20)38)11-10-34-8-1-2-9-34;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;1-15(9-24-20(28)6-8-36-24)30-21-5-7-29-26(34)25(21)23-11-17-10-19-18(12-22(17)31-23)14-33(27(19)35)13-16(2)32(3)4;24-13-3-1-2-11(6-13)19(29)10-26-16-4-5-25-23(32)20(16)18-8-12-7-14-15(9-17(12)27-18)22(31)28-21(14)30/h3-7,12-13,15,25,36H,1-2,8-11,14,16H2,(H2,31,32,37);5-8,12-14,17H,9-11,15H2,1-4H3,(H,32,33)(H2,30,31,36);5-8,10,12,15-16H,9,11,13-14H2,1-4H3,(H2,29,30,34);1-7,9,19,29H,8,10H2,(H2,25,26,32)(H,28,30,31)/t25-;17-;15-,16+;19-/m1001/s1.

What are the key properties of 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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 has a molecular weight of 2021.58 g/mol, XLogP of 14.92, 29 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-(3-chlorothiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(2R)-2-(dimethylamino)propyl]-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 is sourced from PubChem (CID 158857828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).