disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride

C126H105Cl5F11I2N27Na2O17 — CID 158740669

About disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride

disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride (PubChem CID 158740669) has the molecular formula C126H105Cl5F11I2N27Na2O17 and a molecular weight of 2955.43 g/mol. Its IUPAC name is disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride
• PubChem CID: 158740669
• Molecular Formula: C126H105Cl5F11I2N27Na2O17
• Molecular Weight: 2955.43 g/mol
• Exact Mass: 2951.43
• IUPAC Name: disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride
• SMILES: CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2n1C)C(=O)N(C)C3=O.CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2n1C)CN(C)C3=O.CI.CI.CN1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)n(C)c3cc2C1=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)NC3=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2n1C)C(=O)N(C)C3=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2n1C)C(=O)NC3=O.Cc1c(F)cc(F)c(F)c1CC(C)N.Cl.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C25H19F4N5O3.C25H21F4N5O2.C17H13ClN4O3.2C16H11ClN4O3.C15H9ClN4O3.C10H12F3N.2CH3I.ClH.2Na.2H/c1-10(6-13-20(28)14(26)9-15(27)21(13)29)31-16-4-5-30-23(35)19(16)22-32-17-7-11-12(8-18(17)33(22)2)25(37)34(3)24(11)36;1-11(6-14-21(28)15(26)9-16(27)22(14)29)31-17-4-5-30-24(35)20(17)23-32-18-8-13-12(7-19(18)34(23)3)10-33(2)25(13)36;1-21-12-7-9-8(16(23)22(2)17(9)24)6-11(12)20-14(21)13-10(18)4-5-19-15(13)25-3;1-20-11-6-8-7(15(23)21(2)16(8)24)5-10(11)19-13(20)12-9(17)3-4-18-14(12)22;1-21-11-6-8-7(14(22)20-15(8)23)5-10(11)19-13(21)12-9(17)3-4-18-16(12)24-2;1-23-15-11(8(16)2-3-17-15)12-18-9-4-6-7(5-10(9)19-12)14(22)20-13(6)21;1-5(14)3-7-6(2)8(11)4-9(12)10(7)13;2*1-2;;;;;/h4-5,7-10H,6H2,1-3H3,(H2,30,31,35);4-5,7-9,11H,6,10H2,1-3H3,(H2,30,31,35);4-7H,1-3H3;3-6H,1-2H3,(H,18,22);3-6H,1-2H3,(H,20,22,23);2-5H,1H3,(H,18,19)(H,20,21,22);4-5H,3,14H2,1-2H3;2*1H3;1H;;;;/q;;;;;;;;;;2*+1;2*-1
• InChIKey: PMECSWJLPXYBFH-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 557.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2955.43
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride?

The IUPAC name of disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride (CID 158740669) is disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride.

What is the SMILES notation for disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride?

The canonical SMILES for disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride is CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2n1C)C(=O)N(C)C3=O.CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2n1C)CN(C)C3=O.CI.CI.CN1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)n(C)c3cc2C1=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)NC3=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2n1C)C(=O)N(C)C3=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2n1C)C(=O)NC3=O.Cc1c(F)cc(F)c(F)c1CC(C)N.Cl.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride?

The InChIKey is PMECSWJLPXYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O3.C25H21F4N5O2.C17H13ClN4O3.2C16H11ClN4O3.C15H9ClN4O3.C10H12F3N.2CH3I.ClH.2Na.2H/c1-10(6-13-20(28)14(26)9-15(27)21(13)29)31-16-4-5-30-23(35)19(16)22-32-17-7-11-12(8-18(17)33(22)2)25(37)34(3)24(11)36;1-11(6-14-21(28)15(26)9-16(27)22(14)29)31-17-4-5-30-24(35)20(17)23-32-18-8-13-12(7-19(18)34(23)3)10-33(2)25(13)36;1-21-12-7-9-8(16(23)22(2)17(9)24)6-11(12)20-14(21)13-10(18)4-5-19-15(13)25-3;1-20-11-6-8-7(15(23)21(2)16(8)24)5-10(11)19-13(20)12-9(17)3-4-18-14(12)22;1-21-11-6-8-7(14(22)20-15(8)23)5-10(11)19-13(21)12-9(17)3-4-18-16(12)24-2;1-23-15-11(8(16)2-3-17-15)12-18-9-4-6-7(5-10(9)19-12)14(22)20-13(6)21;1-5(14)3-7-6(2)8(11)4-9(12)10(7)13;2*1-2;;;;;/h4-5,7-10H,6H2,1-3H3,(H2,30,31,35);4-5,7-9,11H,6,10H2,1-3H3,(H2,30,31,35);4-7H,1-3H3;3-6H,1-2H3,(H,18,22);3-6H,1-2H3,(H,20,22,23);2-5H,1H3,(H,18,19)(H,20,21,22);4-5H,3,14H2,1-2H3;2*1H3;1H;;;;/q;;;;;;;;;;2*+1;2*-1.

What are the key properties of disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride?

disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride has a molecular weight of 2955.43 g/mol, XLogP of 15.61, 19 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-(4-chloro-2-methoxy-3-pyridinyl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1,6-dimethylpyrrolo[3,4-f]benzimidazole-5,7-dione;1,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]pyrrolo[3,4-f]benzimidazole-5,7-dione;3,6-dimethyl-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-5H-pyrrolo[3,4-f]benzimidazol-7-one;hydride;iodomethane;1-(2,3,5-trifluoro-6-methylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 158740669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).