tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine

C116H140Cl3F12N23O14Si4 — CID 167663908

About tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine

tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 167663908) has the molecular formula C116H140Cl3F12N23O14Si4 and a molecular weight of 2527.22 g/mol. Its IUPAC name is tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 167663908
• Molecular Formula: C116H140Cl3F12N23O14Si4
• Molecular Weight: 2527.22 g/mol
• Exact Mass: 2523.89
• IUPAC Name: tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
• SMILES: CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)N1)c1ccc2c(F)cn(COCC[Si](C)(C)C)c2n1.CNc1ccc2c(F)cn(COCC[Si](C)(C)C)c2n1.C[Si](C)(C)CCOCn1cc(F)c2ccc(Cl)nc21.Cc1cc(C(F)(F)F)cc(N2C(=O)N(C(=O)OC(C)(C)C)C[C@H]2C(=O)N(C)c2ccc3c(F)cn(COCC[Si](C)(C)C)c3n2)n1.Cc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2C(=O)N(C)c2ccc3c(n2)CC=C3F)n1.Clc1ccc2c(n1)CC=C2.FC1=CCc2nc(Cl)ccc21
• InChI: InChI=1S/C30H38F4N6O5Si.C23H34FN5O5Si.C20H17F4N5O2.C14H22FN3OSi.C13H18ClFN2OSi.C8H5ClFN.C8H6ClN/c1-18-13-19(30(32,33)34)14-24(35-18)40-22(16-39(27(40)42)28(43)45-29(2,3)4)26(41)37(5)23-10-9-20-21(31)15-38(25(20)36-23)17-44-11-12-46(6,7)8;1-23(2,3)34-22(32)29-13-17(25-21(29)31)20(30)27(4)18-9-8-15-16(24)12-28(19(15)26-18)14-33-10-11-35(5,6)7;1-10-7-11(20(22,23)24)8-17(26-10)29-15(9-25-19(29)31)18(30)28(2)16-6-3-12-13(21)4-5-14(12)27-16;1-16-13-6-5-11-12(15)9-18(14(11)17-13)10-19-7-8-20(2,3)4;1-19(2,3)7-6-18-9-17-8-11(15)10-4-5-12(14)16-13(10)17;9-8-4-1-5-6(10)2-3-7(5)11-8;9-8-5-4-6-2-1-3-7(6)10-8/h9-10,13-15,22H,11-12,16-17H2,1-8H3;8-9,12,17H,10-11,13-14H2,1-7H3,(H,25,31);3-4,6-8,15H,5,9H2,1-2H3,(H,25,31);5-6,9H,7-8,10H2,1-4H3,(H,16,17);4-5,8H,6-7,9H2,1-3H3;1-2,4H,3H2;1-2,4-5H,3H2/t22-;17-;15-;;;;/m000..../s1
• InChIKey: SIWMSLXLJZZMDC-YDLJCCGUSA-N
• XLogP: 26.01
• TPSA: 386.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2527.22
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?

The IUPAC name of tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine (CID 167663908) is tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine.

What is the SMILES notation for tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?

The canonical SMILES for tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine is CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)N1)c1ccc2c(F)cn(COCC[Si](C)(C)C)c2n1.CNc1ccc2c(F)cn(COCC[Si](C)(C)C)c2n1.C[Si](C)(C)CCOCn1cc(F)c2ccc(Cl)nc21.Cc1cc(C(F)(F)F)cc(N2C(=O)N(C(=O)OC(C)(C)C)C[C@H]2C(=O)N(C)c2ccc3c(F)cn(COCC[Si](C)(C)C)c3n2)n1.Cc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2C(=O)N(C)c2ccc3c(n2)CC=C3F)n1.Clc1ccc2c(n1)CC=C2.FC1=CCc2nc(Cl)ccc21.

What is the InChIKey of tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is SIWMSLXLJZZMDC-YDLJCCGUSA-N. The full InChI is InChI=1S/C30H38F4N6O5Si.C23H34FN5O5Si.C20H17F4N5O2.C14H22FN3OSi.C13H18ClFN2OSi.C8H5ClFN.C8H6ClN/c1-18-13-19(30(32,33)34)14-24(35-18)40-22(16-39(27(40)42)28(43)45-29(2,3)4)26(41)37(5)23-10-9-20-21(31)15-38(25(20)36-23)17-44-11-12-46(6,7)8;1-23(2,3)34-22(32)29-13-17(25-21(29)31)20(30)27(4)18-9-8-15-16(24)12-28(19(15)26-18)14-33-10-11-35(5,6)7;1-10-7-11(20(22,23)24)8-17(26-10)29-15(9-25-19(29)31)18(30)28(2)16-6-3-12-13(21)4-5-14(12)27-16;1-16-13-6-5-11-12(15)9-18(14(11)17-13)10-19-7-8-20(2,3)4;1-19(2,3)7-6-18-9-17-8-11(15)10-4-5-12(14)16-13(10)17;9-8-4-1-5-6(10)2-3-7(5)11-8;9-8-5-4-6-2-1-3-7(6)10-8/h9-10,13-15,22H,11-12,16-17H2,1-8H3;8-9,12,17H,10-11,13-14H2,1-7H3,(H,25,31);3-4,6-8,15H,5,9H2,1-2H3,(H,25,31);5-6,9H,7-8,10H2,1-4H3,(H,16,17);4-5,8H,6-7,9H2,1-3H3;1-2,4H,3H2;1-2,4-5H,3H2/t22-;17-;15-;;;;/m000..../s1.

What are the key properties of tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?

tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 2527.22 g/mol, XLogP of 26.01, 29 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-1-carboxylate;tert-butyl (4S)-4-[[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate;2-chloro-7H-cyclopenta[b]pyridine;2-chloro-5-fluoro-7H-cyclopenta[b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;(4S)-N-(5-fluoro-7H-cyclopenta[b]pyridin-2-yl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;3-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 167663908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).