5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride

C123H87Cl4F14N31O20 — CID 159323985

About 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride

5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride (PubChem CID 159323985) has the molecular formula C123H87Cl4F14N31O20 and a molecular weight of 2727.03 g/mol. Its IUPAC name is 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride
• PubChem CID: 159323985
• Molecular Formula: C123H87Cl4F14N31O20
• Molecular Weight: 2727.03 g/mol
• Exact Mass: 2723.53
• IUPAC Name: 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride
• SMILES: C.COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(c1ccc(F)nc1)C3=O.COc1nccc(Cl)c1C.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(c1ccc(F)nc1)C3=O.C[C@H](N)Cc1c(F)c(F)cc(F)c1F.Cl.Nc1cc2c(cc1N)C(=O)N(c1ccc(F)nc1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(F)nc1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O.Nc1ccc(F)nc1.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1c1ccc(F)nc1.[H][H]
• InChI: InChI=1S/C28H17F5N6O3.C20H11ClFN5O3.C19H9ClFN5O3.C13H7FN4O4.C13H9FN4O2.C9H9F4N.C8H5N3O4.C7H8ClNO.C5H5FN2.CH4.ClH.H2/c1-11(6-15-23(32)16(29)9-17(30)24(15)33)36-18-4-5-34-26(40)22(18)25-37-19-7-13-14(8-20(19)38-25)28(42)39(27(13)41)12-2-3-21(31)35-10-12;1-30-18-16(12(21)4-5-23-18)17-25-13-6-10-11(7-14(13)26-17)20(29)27(19(10)28)9-2-3-15(22)24-8-9;20-11-3-4-22-17(27)15(11)16-24-12-5-9-10(6-13(12)25-16)19(29)26(18(9)28)8-1-2-14(21)23-7-8;14-11-2-1-6(5-16-11)17-12(19)7-3-9(15)10(18(21)22)4-8(7)13(17)20;14-11-2-1-6(5-17-11)18-12(19)7-3-9(15)10(16)4-8(7)13(18)20;1-4(14)2-5-8(12)6(10)3-7(11)9(5)13;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;1-5-6(8)3-4-9-7(5)10-2;6-5-2-1-4(7)3-8-5;;;/h2-5,7-11H,6H2,1H3,(H,37,38)(H2,34,36,40);2-8H,1H3,(H,25,26);1-7H,(H,22,27)(H,24,25);1-5H,15H2;1-5H,15-16H2;3-4H,2,14H2,1H3;1-2H,9H2,(H,10,12,13);3-4H,1-2H3;1-3H,7H2;1H4;2*1H/t11-;;;;;4-;;;;;;/m0....0....../s1
• InChIKey: SULNZVKUCNWGEW-UVEOEKCHSA-N
• XLogP: 20.43
• TPSA: 760.84 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2727.03
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride?

The IUPAC name of 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride (CID 159323985) is 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride.

What is the SMILES notation for 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride?

The canonical SMILES for 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride is C.COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(c1ccc(F)nc1)C3=O.COc1nccc(Cl)c1C.C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(c1ccc(F)nc1)C3=O.C[C@H](N)Cc1c(F)c(F)cc(F)c1F.Cl.Nc1cc2c(cc1N)C(=O)N(c1ccc(F)nc1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(F)nc1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O.Nc1ccc(F)nc1.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1c1ccc(F)nc1.[H][H].

What is the InChIKey of 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride?

The InChIKey is SULNZVKUCNWGEW-UVEOEKCHSA-N. The full InChI is InChI=1S/C28H17F5N6O3.C20H11ClFN5O3.C19H9ClFN5O3.C13H7FN4O4.C13H9FN4O2.C9H9F4N.C8H5N3O4.C7H8ClNO.C5H5FN2.CH4.ClH.H2/c1-11(6-15-23(32)16(29)9-17(30)24(15)33)36-18-4-5-34-26(40)22(18)25-37-19-7-13-14(8-20(19)38-25)28(42)39(27(13)41)12-2-3-21(31)35-10-12;1-30-18-16(12(21)4-5-23-18)17-25-13-6-10-11(7-14(13)26-17)20(29)27(19(10)28)9-2-3-15(22)24-8-9;20-11-3-4-22-17(27)15(11)16-24-12-5-9-10(6-13(12)25-16)19(29)26(18(9)28)8-1-2-14(21)23-7-8;14-11-2-1-6(5-16-11)17-12(19)7-3-9(15)10(18(21)22)4-8(7)13(17)20;14-11-2-1-6(5-17-11)18-12(19)7-3-9(15)10(16)4-8(7)13(18)20;1-4(14)2-5-8(12)6(10)3-7(11)9(5)13;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;1-5-6(8)3-4-9-7(5)10-2;6-5-2-1-4(7)3-8-5;;;/h2-5,7-11H,6H2,1H3,(H,37,38)(H2,34,36,40);2-8H,1H3,(H,25,26);1-7H,(H,22,27)(H,24,25);1-5H,15H2;1-5H,15-16H2;3-4H,2,14H2,1H3;1-2H,9H2,(H,10,12,13);3-4H,1-2H3;1-3H,7H2;1H4;2*1H/t11-;;;;;4-;;;;;;/m0....0....../s1.

What are the key properties of 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride?

5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride has a molecular weight of 2727.03 g/mol, XLogP of 20.43, 18 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(6-fluoro-3-pyridinyl)-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;4-chloro-2-methoxy-3-methylpyridine;2-(4-chloro-2-methoxy-3-pyridinyl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(6-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-(6-fluoro-3-pyridinyl)isoindole-1,3-dione;6-fluoropyridin-3-amine;6-(6-fluoro-3-pyridinyl)-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methane;molecular hydrogen;(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 159323985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).