2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine

C112H109Cl2F12N23O11 — CID 159218969

About 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine

2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine (PubChem CID 159218969) has the molecular formula C112H109Cl2F12N23O11 and a molecular weight of 2252.14 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine
• PubChem CID: 159218969
• Molecular Formula: C112H109Cl2F12N23O11
• Molecular Weight: 2252.14 g/mol
• Exact Mass: 2249.79
• IUPAC Name: 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine
• SMILES: CC(N)Cc1c(F)c(F)cc(F)c1F.COc1nccc(Cl)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O.Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O.Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O.Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)CN(C1CCN(C)CC1)C2=O
• InChI: InChI=1S/C30H28F4N6O3.C30H30F4N6O2.C22H22ClN5O3.C21H20ClN5O3.C9H9F4N/c1-13(10-17-24(33)18(31)12-19(32)25(17)34)36-20-4-7-35-28(41)23(20)27-37-21-11-16-22(14(2)26(21)38-27)30(43)40(29(16)42)15-5-8-39(3)9-6-15;1-14(10-18-25(33)19(31)12-20(32)26(18)34)36-21-4-7-35-29(41)24(21)28-37-22-11-16-13-40(17-5-8-39(3)9-6-17)30(42)23(16)15(2)27(22)38-28;1-11-16-13(21(29)28(22(16)30)12-5-8-27(2)9-6-12)10-15-18(11)26-19(25-15)17-14(23)4-7-24-20(17)31-3;1-10-15-12(20(29)27(21(15)30)11-4-7-26(2)8-5-11)9-14-17(10)25-18(24-14)16-13(22)3-6-23-19(16)28;1-4(14)2-5-8(12)6(10)3-7(11)9(5)13/h4,7,11-13,15H,5-6,8-10H2,1-3H3,(H,37,38)(H2,35,36,41);4,7,11-12,14,17H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41);4,7,10,12H,5-6,8-9H2,1-3H3,(H,25,26);3,6,9,11H,4-5,7-8H2,1-2H3,(H,23,28)(H,24,25);3-4H,2,14H2,1H3
• InChIKey: KRLAQSGOYHMZQP-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 430.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.14
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine?

The IUPAC name of 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine (CID 159218969) is 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine.

What is the SMILES notation for 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine?

The canonical SMILES for 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine is CC(N)Cc1c(F)c(F)cc(F)c1F.COc1nccc(Cl)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O.Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O.Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O.Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)CN(C1CCN(C)CC1)C2=O.

What is the InChIKey of 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine?

The InChIKey is KRLAQSGOYHMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4N6O3.C30H30F4N6O2.C22H22ClN5O3.C21H20ClN5O3.C9H9F4N/c1-13(10-17-24(33)18(31)12-19(32)25(17)34)36-20-4-7-35-28(41)23(20)27-37-21-11-16-22(14(2)26(21)38-27)30(43)40(29(16)42)15-5-8-39(3)9-6-15;1-14(10-18-25(33)19(31)12-20(32)26(18)34)36-21-4-7-35-29(41)24(21)28-37-22-11-16-13-40(17-5-8-39(3)9-6-17)30(42)23(16)15(2)27(22)38-28;1-11-16-13(21(29)28(22(16)30)12-5-8-27(2)9-6-12)10-15-18(11)26-19(25-15)17-14(23)4-7-24-20(17)31-3;1-10-15-12(20(29)27(21(15)30)11-4-7-26(2)8-5-11)9-14-17(10)25-18(24-14)16-13(22)3-6-23-19(16)28;1-4(14)2-5-8(12)6(10)3-7(11)9(5)13/h4,7,11-13,15H,5-6,8-10H2,1-3H3,(H,37,38)(H2,35,36,41);4,7,11-12,14,17H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41);4,7,10,12H,5-6,8-9H2,1-3H3,(H,25,26);3,6,9,11H,4-5,7-8H2,1-2H3,(H,23,28)(H,24,25);3-4H,2,14H2,1H3.

What are the key properties of 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine?

2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine has a molecular weight of 2252.14 g/mol, XLogP of 17.38, 19 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;8-methyl-6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(2,3,5,6-tetrafluorophenyl)propan-2-amine is sourced from PubChem (CID 159218969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).