4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile

C99H112BCl3F18I3N21O5Si3 — CID 163768942

About 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile

4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile (PubChem CID 163768942) has the molecular formula C99H112BCl3F18I3N21O5Si3 and a molecular weight of 2600.23 g/mol. Its IUPAC name is 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
• PubChem CID: 163768942
• Molecular Formula: C99H112BCl3F18I3N21O5Si3
• Molecular Weight: 2600.23 g/mol
• Exact Mass: 2597.45
• IUPAC Name: 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
• SMILES: CC(C)(C#N)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CNc1c(C(F)(F)F)cnc2c1C(c1cnn(C(C)(C)C#N)c1)=CC2.CNc1c(C(F)(F)F)cnc2c1c(-c1cnn(C(C)(C)C#N)c1)cn2COCC[Si](C)(C)C.CNc1c(C(F)(F)F)cnc2c1c(I)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)c(C(F)(F)F)cnc21.FC(F)(F)c1cnc2c(c1Cl)C(I)=CC2.FC(F)(F)c1cnc2c(c1Cl)C=CC2
• InChI: InChI=1S/C22H29F3N6OSi.C17H16F3N5.C15H21F3IN3OSi.C14H17ClF3IN2OSi.C13H20BN3O2.C9H4ClF3IN.C9H5ClF3N/c1-21(2,13-26)31-11-15(9-29-31)16-12-30(14-32-7-8-33(4,5)6)20-18(16)19(27-3)17(10-28-20)22(23,24)25;1-16(2,9-21)25-8-10(6-24-25)11-4-5-13-14(11)15(22-3)12(7-23-13)17(18,19)20;1-20-13-10(15(16,17)18)7-21-14-12(13)11(19)8-22(14)9-23-5-6-24(2,3)4;1-23(2,3)5-4-22-8-21-7-10(19)11-12(15)9(14(16,17)18)6-20-13(11)21;1-11(2,9-15)17-8-10(7-16-17)14-18-12(3,4)13(5,6)19-14;10-8-4(9(11,12)13)3-15-6-2-1-5(14)7(6)8;10-8-5-2-1-3-7(5)14-4-6(8)9(11,12)13/h9-12H,7-8,14H2,1-6H3,(H,27,28);4,6-8H,5H2,1-3H3,(H,22,23);7-8H,5-6,9H2,1-4H3,(H,20,21);6-7H,4-5,8H2,1-3H3;7-8H,1-6H3;1,3H,2H2;1-2,4H,3H2
• InChIKey: METWILAGIQDMFA-UHFFFAOYSA-N
• XLogP: 28.61
• TPSA: 299.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2600.23
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile?

The IUPAC name of 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile (CID 163768942) is 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile.

What is the SMILES notation for 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile?

The canonical SMILES for 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile is CC(C)(C#N)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CNc1c(C(F)(F)F)cnc2c1C(c1cnn(C(C)(C)C#N)c1)=CC2.CNc1c(C(F)(F)F)cnc2c1c(-c1cnn(C(C)(C)C#N)c1)cn2COCC[Si](C)(C)C.CNc1c(C(F)(F)F)cnc2c1c(I)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)c(C(F)(F)F)cnc21.FC(F)(F)c1cnc2c(c1Cl)C(I)=CC2.FC(F)(F)c1cnc2c(c1Cl)C=CC2.

What is the InChIKey of 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile?

The InChIKey is METWILAGIQDMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N6OSi.C17H16F3N5.C15H21F3IN3OSi.C14H17ClF3IN2OSi.C13H20BN3O2.C9H4ClF3IN.C9H5ClF3N/c1-21(2,13-26)31-11-15(9-29-31)16-12-30(14-32-7-8-33(4,5)6)20-18(16)19(27-3)17(10-28-20)22(23,24)25;1-16(2,9-21)25-8-10(6-24-25)11-4-5-13-14(11)15(22-3)12(7-23-13)17(18,19)20;1-20-13-10(15(16,17)18)7-21-14-12(13)11(19)8-22(14)9-23-5-6-24(2,3)4;1-23(2,3)5-4-22-8-21-7-10(19)11-12(15)9(14(16,17)18)6-20-13(11)21;1-11(2,9-15)17-8-10(7-16-17)14-18-12(3,4)13(5,6)19-14;10-8-4(9(11,12)13)3-15-6-2-1-5(14)7(6)8;10-8-5-2-1-3-7(5)14-4-6(8)9(11,12)13/h9-12H,7-8,14H2,1-6H3,(H,27,28);4,6-8H,5H2,1-3H3,(H,22,23);7-8H,5-6,9H2,1-4H3,(H,20,21);6-7H,4-5,8H2,1-3H3;7-8H,1-6H3;1,3H,2H2;1-2,4H,3H2.

What are the key properties of 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile?

4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 2600.23 g/mol, XLogP of 28.61, 24 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-iodo-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;2-[[4-chloro-3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-(trifluoromethyl)-7H-cyclopenta[b]pyridine;3-iodo-N-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 163768942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).