2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne

C146H160BCl4I3N26O10Si4 — CID 157410014

About 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne

2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne (PubChem CID 157410014) has the molecular formula C146H160BCl4I3N26O10Si4 and a molecular weight of 3084.74 g/mol. Its IUPAC name is 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne.

Molecular Properties

• Compound Name: 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
• PubChem CID: 157410014
• Molecular Formula: C146H160BCl4I3N26O10Si4
• Molecular Weight: 3084.74 g/mol
• Exact Mass: 3080.79
• IUPAC Name: 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
• SMILES: C.C.C#CC#CC#C.C#CC#CC#CC.C#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC.CI.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(C#N)c1.Cc1c(-c2cccc(C#N)c2)c2c(Cl)ncnc2n1COCC[Si](C)(C)C.Cc1c(-c2cccc(C#N)c2)c2c(Cl)ncnc2n1COCC[Si](C)(C)C.Cc1c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc2n1CO.Cc1c(I)c2c(Cl)ncnc2n1COCC[Si](C)(C)C.N#Cc1cccc(B(O)O)c1
• InChI: InChI=1S/2C20H23ClN4OSi.C19H19N5O2.C18H17N5O.C13H19ClIN3OSi.C12H17ClIN3OSi.C9H4.C8H6.C7H6BNO2.C7H4.C6H2.C4H9NO.CH3I.2CH4/c2*1-14-17(16-7-5-6-15(10-16)11-22)18-19(21)23-12-24-20(18)25(14)13-26-8-9-27(2,3)4;1-13-16(15-4-2-3-14(9-15)10-20)17-18(23-5-7-26-8-6-23)21-11-22-19(17)24(13)12-25;1-12-15(14-4-2-3-13(9-14)10-19)16-17(22-12)20-11-21-18(16)23-5-7-24-8-6-23;1-9-11(15)10-12(14)16-7-17-13(10)18(9)8-19-5-6-20(2,3)4;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;9-5-6-2-1-3-7(4-6)8(10)11;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-6-4-2-5-1;1-2;;/h2*5-7,10,12H,8-9,13H2,1-4H3;2-4,9,11,25H,5-8,12H2,1H3;2-4,9,11H,5-8H2,1H3,(H,20,21,22);7H,5-6,8H2,1-4H3;6-7H,4-5,8H2,1-3H3;1H,2H3;1-2H3;1-4,10-11H;1H,2H3;1-2H;5H,1-4H2;1H3;2*1H4
• InChIKey: BOEAUBADGVHSDD-UHFFFAOYSA-N
• XLogP: 27.26
• TPSA: 457.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3084.74
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne?

The IUPAC name of 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne (CID 157410014) is 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne.

What is the SMILES notation for 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne?

The canonical SMILES for 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne is C.C.C#CC#CC#C.C#CC#CC#CC.C#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC.CI.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(C#N)c1.Cc1c(-c2cccc(C#N)c2)c2c(Cl)ncnc2n1COCC[Si](C)(C)C.Cc1c(-c2cccc(C#N)c2)c2c(Cl)ncnc2n1COCC[Si](C)(C)C.Cc1c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc2n1CO.Cc1c(I)c2c(Cl)ncnc2n1COCC[Si](C)(C)C.N#Cc1cccc(B(O)O)c1.

What is the InChIKey of 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne?

The InChIKey is BOEAUBADGVHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23ClN4OSi.C19H19N5O2.C18H17N5O.C13H19ClIN3OSi.C12H17ClIN3OSi.C9H4.C8H6.C7H6BNO2.C7H4.C6H2.C4H9NO.CH3I.2CH4/c2*1-14-17(16-7-5-6-15(10-16)11-22)18-19(21)23-12-24-20(18)25(14)13-26-8-9-27(2,3)4;1-13-16(15-4-2-3-14(9-15)10-20)17-18(23-5-7-26-8-6-23)21-11-22-19(17)24(13)12-25;1-12-15(14-4-2-3-13(9-14)10-19)16-17(22-12)20-11-21-18(16)23-5-7-24-8-6-23;1-9-11(15)10-12(14)16-7-17-13(10)18(9)8-19-5-6-20(2,3)4;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;9-5-6-2-1-3-7(4-6)8(10)11;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-6-4-2-5-1;1-2;;/h2*5-7,10,12H,8-9,13H2,1-4H3;2-4,9,11,25H,5-8,12H2,1H3;2-4,9,11H,5-8H2,1H3,(H,20,21,22);7H,5-6,8H2,1-4H3;6-7H,4-5,8H2,1-3H3;1H,2H3;1-2H3;1-4,10-11H;1H,2H3;1-2H;5H,1-4H2;1H3;2*1H4.

What are the key properties of 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne?

2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne has a molecular weight of 3084.74 g/mol, XLogP of 27.26, 28 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne is sourced from PubChem (CID 157410014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).