2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 — IUPAC name, SMILES, InChIKey & properties

Name: 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 158783137) has the molecular formula C80H121BBrN13O9S2Si4 and a molecular weight of 1676.12 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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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	158783137
Molecular Formula	C80H121BBrN13O9S2Si4
Molecular Weight	1676.12 g/mol
Exact Mass	1673.72
IUPAC Name	2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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	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(-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.C17H23N3OSi.C13H19BrN2OSi.C7H10N2O2S/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;1-22(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;4-9,12,18H,10-11,13H2,1-3H3;4-7H,8-10H2,1-3H3;4H,3,5-6H2,1H3
InChIKey	IRIJUNDSLFNTOG-UHFFFAOYSA-N
XLogP	17.81
TPSA	228.17 Å²
H-Bond Donors	1
H-Bond Acceptors	18
Rotatable Bonds	28
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.12
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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'}

Analyze 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 with MolForge

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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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 158783137) is 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1-ethylsulfonyl-3-(isocyanomethylidene)azetidine;2-[1-ethylsulfonyl-3-[3-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 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(-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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 IRIJUNDSLFNTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3SSi.C19H36BNO2Si.C17H23N3OSi.C13H19BrN2OSi.C7H10N2O2S/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;1-22(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;4-9,12,18H,10-11,13H2,1-3H3;4-7H,8-10H2,1-3H3;4H,3,5-6H2,1H3.

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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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?

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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;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 158783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).