2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C85H120BClN26O11S3Si3 — CID 158140867

About 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 158140867) has the molecular formula C85H120BClN26O11S3Si3 and a molecular weight of 1908.79 g/mol. Its IUPAC name is 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• PubChem CID: 158140867
• Molecular Formula: C85H120BClN26O11S3Si3
• Molecular Weight: 1908.79 g/mol
• Exact Mass: 1906.79
• IUPAC Name: 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• SMILES: CCS(=O)(=O)N1CC(=CC#N)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)c(C)n2)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)c(C)n2)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Cc1[nH]ncc1-c1ncnc2c1ccn2COCC[Si](C)(C)C.Cc1[nH]ncc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C23H33N7O3SSi.C17H19N7O2S.C16H23N5OSi.C12H18ClN3OSi.C10H17BN2O2.C7H10N2O2S/c1-6-34(31,32)29-14-23(15-29,8-9-24)30-13-20(18(2)27-30)21-19-7-10-28(22(19)26-16-25-21)17-33-11-12-35(3,4)5;1-3-27(25,26)23-9-17(10-23,5-6-18)24-8-14(12(2)22-24)15-13-4-7-19-16(13)21-11-20-15;1-12-14(9-19-20-12)15-13-5-6-21(16(13)18-10-17-15)11-22-7-8-23(2,3)4;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11;1-2-12(10,11)9-5-7(6-9)3-4-8/h7,10,13,16H,6,8,11-12,14-15,17H2,1-5H3;4,7-8,11H,3,5,9-10H2,1-2H3,(H,19,20,21);5-6,9-10H,7-8,11H2,1-4H3,(H,19,20);4-5,8H,6-7,9H2,1-3H3;6H,1-5H3,(H,12,13);3H,2,5-6H2,1H3
• InChIKey: FTXPEZINKNGREW-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 456.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.79
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The IUPAC name of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 158140867) is 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

What is the SMILES notation for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The canonical SMILES for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is CCS(=O)(=O)N1CC(=CC#N)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)c(C)n2)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)c(C)n2)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Cc1[nH]ncc1-c1ncnc2c1ccn2COCC[Si](C)(C)C.Cc1[nH]ncc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The InChIKey is FTXPEZINKNGREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O3SSi.C17H19N7O2S.C16H23N5OSi.C12H18ClN3OSi.C10H17BN2O2.C7H10N2O2S/c1-6-34(31,32)29-14-23(15-29,8-9-24)30-13-20(18(2)27-30)21-19-7-10-28(22(19)26-16-25-21)17-33-11-12-35(3,4)5;1-3-27(25,26)23-9-17(10-23,5-6-18)24-8-14(12(2)22-24)15-13-4-7-19-16(13)21-11-20-15;1-12-14(9-19-20-12)15-13-5-6-21(16(13)18-10-17-15)11-22-7-8-23(2,3)4;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11;1-2-12(10,11)9-5-7(6-9)3-4-8/h7,10,13,16H,6,8,11-12,14-15,17H2,1-5H3;4,7-8,11H,3,5,9-10H2,1-2H3,(H,19,20,21);5-6,9-10H,7-8,11H2,1-4H3,(H,19,20);4-5,8H,6-7,9H2,1-3H3;6H,1-5H3,(H,12,13);3H,2,5-6H2,1H3.

What are the key properties of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1908.79 g/mol, XLogP of 12.55, 29 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-methyl-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158140867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).