2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane

C100H148BBrN18O11S3Si4 — CID 157337550

About 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane

2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane (PubChem CID 157337550) has the molecular formula C100H148BBrN18O11S3Si4 and a molecular weight of 2077.66 g/mol. Its IUPAC name is 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane.

Molecular Properties

• Compound Name: 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane
• PubChem CID: 157337550
• Molecular Formula: C100H148BBrN18O11S3Si4
• Molecular Weight: 2077.66 g/mol
• Exact Mass: 2074.91
• IUPAC Name: 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane
• SMILES: C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc(B2OC(C)(C)C(C)(C)O2)c1.CCS(=O)(=O)N1CC(CC#N)(n2ccc(-c3ccnc4[nH]ccc34)c2)C1.CCS(=O)(=O)N1CC(CC#N)(n2ccc(-c3ccnc4c3ccn4COCC[Si](C)(C)C)c2)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cc[nH]c3)ccnc21.C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21.[C-]#[N+]C=C1CN(S(=O)(=O)CC)C1
• InChI: InChI=1S/C24H33N5O3SSi.C19H36BNO2Si.C18H19N5O2S.C17H23N3OSi.C13H19BrN2OSi.C7H10N2O2S.2CH4/c1-5-33(30,31)29-17-24(18-29,9-10-25)28-13-7-20(16-28)21-6-11-26-23-22(21)8-12-27(23)19-32-14-15-34(2,3)4;1-14(2)24(15(3)4,16(5)6)21-12-11-17(13-21)20-22-18(7,8)19(9,10)23-20;1-2-26(24,25)23-12-18(13-23,6-7-19)22-10-5-14(11-22)15-3-8-20-17-16(15)4-9-21-17;1-22(2,3)11-10-21-13-20-9-6-16-15(5-8-19-17(16)20)14-4-7-18-12-14;1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;1-3-12(10,11)9-5-7(6-9)4-8-2;;/h6-8,11-13,16H,5,9,14-15,17-19H2,1-4H3;11-16H,1-10H3;3-5,8-11H,2,6,12-13H2,1H3,(H,20,21);4-9,12,18H,10-11,13H2,1-3H3;4-7H,8-10H2,1-3H3;4H,3,5-6H2,1H3;2*1H4
• InChIKey: BFZYLKLZSRVDAX-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 322.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.66
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane?

The IUPAC name of 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane (CID 157337550) is 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane.

What is the SMILES notation for 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane?

The canonical SMILES for 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane is C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc(B2OC(C)(C)C(C)(C)O2)c1.CCS(=O)(=O)N1CC(CC#N)(n2ccc(-c3ccnc4[nH]ccc34)c2)C1.CCS(=O)(=O)N1CC(CC#N)(n2ccc(-c3ccnc4c3ccn4COCC[Si](C)(C)C)c2)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cc[nH]c3)ccnc21.C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21.[C-]#[N+]C=C1CN(S(=O)(=O)CC)C1.

What is the InChIKey of 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane?

The InChIKey is BFZYLKLZSRVDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3SSi.C19H36BNO2Si.C18H19N5O2S.C17H23N3OSi.C13H19BrN2OSi.C7H10N2O2S.2CH4/c1-5-33(30,31)29-17-24(18-29,9-10-25)28-13-7-20(16-28)21-6-11-26-23-22(21)8-12-27(23)19-32-14-15-34(2,3)4;1-14(2)24(15(3)4,16(5)6)21-12-11-17(13-21)20-22-18(7,8)19(9,10)23-20;1-2-26(24,25)23-12-18(13-23,6-7-19)22-10-5-14(11-22)15-3-8-20-17-16(15)4-9-21-17;1-22(2,3)11-10-21-13-20-9-6-16-15(5-8-19-17(16)20)14-4-7-18-12-14;1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;1-3-12(10,11)9-5-7(6-9)4-8-2;;/h6-8,11-13,16H,5,9,14-15,17-19H2,1-4H3;11-16H,1-10H3;3-5,8-11H,2,6,12-13H2,1H3,(H,20,21);4-9,12,18H,10-11,13H2,1-3H3;4-7H,8-10H2,1-3H3;4H,3,5-6H2,1H3;2*1H4.

What are the key properties of 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane?

2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane has a molecular weight of 2077.66 g/mol, XLogP of 21.39, 33 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;methane;trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane is sourced from PubChem (CID 157337550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).