(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one

C193H189Cl6N21O13S6 — CID 157238245

About (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one

(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one (PubChem CID 157238245) has the molecular formula C193H189Cl6N21O13S6 and a molecular weight of 3415.89 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one
• PubChem CID: 157238245
• Molecular Formula: C193H189Cl6N21O13S6
• Molecular Weight: 3415.89 g/mol
• Exact Mass: 3410.12
• IUPAC Name: (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(C)cn(C)c4n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n([C@H]5CCN(C)C5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5c(C)cn(C)c5n4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5c(c4)cc(C)n5C)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc4c(c3)cc(C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-n3ccc4ccncc4c3=O)sc2c1-c1ccc(Cl)cc1
• InChI: InChI=1S/2C35H33ClN4O2S.C34H37ClN4O2S.2C30H30ClN3O2S.C29H26ClN3O3S/c1-19-14-28-32(30(22-8-10-26(36)11-9-22)29(19)31(21(3)41)42-35(4,5)6)43-34(39-28)23-12-13-37-27(17-23)25-16-24-15-20(2)40(7)33(24)38-18-25;1-19-16-28-32(30(22-8-10-24(36)11-9-22)29(19)31(21(3)41)42-35(4,5)6)43-34(39-28)23-14-15-37-27(17-23)26-13-12-25-20(2)18-40(7)33(25)38-26;1-19-16-27-32(30(22-8-11-24(35)12-9-22)29(19)31(20(2)40)41-34(4,5)6)42-33(37-27)23-10-13-26-28(17-23)39(21(3)36-26)25-14-15-38(7)18-25;1-16-12-23-27(37-29(33-23)21-14-20-13-17(2)34(7)28(20)32-15-21)25(19-8-10-22(31)11-9-19)24(16)26(18(3)35)36-30(4,5)6;1-16-14-23-27(37-29(33-23)22-13-12-21-17(2)15-34(7)28(21)32-22)25(19-8-10-20(31)11-9-19)24(16)26(18(3)35)36-30(4,5)6;1-16-14-22-26(37-28(32-22)33-13-11-18-10-12-31-15-21(18)27(33)35)24(19-6-8-20(30)9-7-19)23(16)25(17(2)34)36-29(3,4)5/h2*8-18,31H,1-7H3;8-13,16-17,25,31H,14-15,18H2,1-7H3;2*8-15,26H,1-7H3;6-15,25H,1-5H3/t2*31-;25-,31+;2*26-;25-/m110111/s1
• InChIKey: AUXACVMFSUWABP-PYTNDTAQSA-N
• XLogP: 50.70
• TPSA: 388.15 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3415.89
LogP ≤ 5	50.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one?

The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one (CID 157238245) is (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one.

What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one?

The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(C)cn(C)c4n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n([C@H]5CCN(C)C5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5c(C)cn(C)c5n4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5c(c4)cc(C)n5C)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc4c(c3)cc(C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-n3ccc4ccncc4c3=O)sc2c1-c1ccc(Cl)cc1.

What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one?

The InChIKey is AUXACVMFSUWABP-PYTNDTAQSA-N. The full InChI is InChI=1S/2C35H33ClN4O2S.C34H37ClN4O2S.2C30H30ClN3O2S.C29H26ClN3O3S/c1-19-14-28-32(30(22-8-10-26(36)11-9-22)29(19)31(21(3)41)42-35(4,5)6)43-34(39-28)23-12-13-37-27(17-23)25-16-24-15-20(2)40(7)33(24)38-18-25;1-19-16-28-32(30(22-8-10-24(36)11-9-22)29(19)31(21(3)41)42-35(4,5)6)43-34(39-28)23-14-15-37-27(17-23)26-13-12-25-20(2)18-40(7)33(25)38-26;1-19-16-27-32(30(22-8-11-24(35)12-9-22)29(19)31(20(2)40)41-34(4,5)6)42-33(37-27)23-10-13-26-28(17-23)39(21(3)36-26)25-14-15-38(7)18-25;1-16-12-23-27(37-29(33-23)21-14-20-13-17(2)34(7)28(20)32-15-21)25(19-8-10-22(31)11-9-19)24(16)26(18(3)35)36-30(4,5)6;1-16-14-23-27(37-29(33-23)22-13-12-21-17(2)15-34(7)28(21)32-22)25(19-8-10-20(31)11-9-19)24(16)26(18(3)35)36-30(4,5)6;1-16-14-22-26(37-28(32-22)33-13-11-18-10-12-31-15-21(18)27(33)35)24(19-6-8-20(30)9-7-19)23(16)25(17(2)34)36-29(3,4)5/h2*8-18,31H,1-7H3;8-13,16-17,25,31H,14-15,18H2,1-7H3;2*8-15,26H,1-7H3;6-15,25H,1-5H3/t2*31-;25-,31+;2*26-;25-/m110111/s1.

What are the key properties of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one?

(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one has a molecular weight of 3415.89 g/mol, XLogP of 50.70, 33 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,2-dimethylpyrrolo[2,3-b]pyridin-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylpyrrolo[2,3-b]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 157238245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).