2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid

C99H107B2Br6N17O6Si2 — CID 160993053

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid
SMILESBrc1cncc(Br)c1.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1Br.OB(O)c1ccncc1
InChIInChI=1S/C32H34N6OSi.C26H35BN4O3Si.2C12H11BrN2.C7H7Br2N.C5H6BNO2.C5H3Br2N/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*1-2-10-11(7-15-8-12(10)13)9-3-5-14-6-4-9;1-2-5-6(8)3-10-4-7(5)9;8-6(9)5-1-3-7-4-2-5;6-4-1-5(7)3-8-2-4/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*3-8H,2H2,1H3;3-4H,2H2,1H3;1-4,8-9H;1-3H
InChIKeyTUWVSBDBLGEVAM-UHFFFAOYSA-N
MW2188.28 g/mol
LogP24.24
Rot. Bonds22

About 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid

2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid (PubChem CID 160993053) has the molecular formula C99H107B2Br6N17O6Si2 and a molecular weight of 2188.28 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid
PubChem CID160993053
Molecular FormulaC99H107B2Br6N17O6Si2
Molecular Weight2188.28 g/mol
Exact Mass2181.34
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid
SMILESBrc1cncc(Br)c1.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1Br.OB(O)c1ccncc1
InChIInChI=1S/C32H34N6OSi.C26H35BN4O3Si.2C12H11BrN2.C7H7Br2N.C5H6BNO2.C5H3Br2N/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*1-2-10-11(7-15-8-12(10)13)9-3-5-14-6-4-9;1-2-5-6(8)3-10-4-7(5)9;8-6(9)5-1-3-7-4-2-5;6-4-1-5(7)3-8-2-4/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*3-8H,2H2,1H3;3-4H,2H2,1H3;1-4,8-9H;1-3H
InChIKeyTUWVSBDBLGEVAM-UHFFFAOYSA-N
XLogP24.24
TPSA286.39 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002188.28
LogP ≤ 524.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid with MolForge

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Related Compounds

2-bromo-6-(trifluoromethyl)pyridine;2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;ethane;2-ethoxyethyl(trimethyl)silane;2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroimidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 158613274
CID 157121234
CID 157121234
5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanato(trimethyl)silane
CID 157248836
CID 157447361
CID 157447361
3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane
CID 157469509
3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid
CID 157585836
1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);2-[(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)sulfonyl]ethyl-trimethylsilane;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
CID 157605626
3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-3-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-3-ylboronic acid
CID 157737998
3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid
CID 157960391
6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)-5-[1-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)-5-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]cyclohexen-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157970848
benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine
CID 158007135
2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid)
CID 158239834

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid (CID 160993053) is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid is Brc1cncc(Br)c1.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1Br.OB(O)c1ccncc1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?
The InChIKey is TUWVSBDBLGEVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6OSi.C26H35BN4O3Si.2C12H11BrN2.C7H7Br2N.C5H6BNO2.C5H3Br2N/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*1-2-10-11(7-15-8-12(10)13)9-3-5-14-6-4-9;1-2-5-6(8)3-10-4-7(5)9;8-6(9)5-1-3-7-4-2-5;6-4-1-5(7)3-8-2-4/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*3-8H,2H2,1H3;3-4H,2H2,1H3;1-4,8-9H;1-3H.
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?
2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid has a molecular weight of 2188.28 g/mol, XLogP of 24.24, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid is sourced from PubChem (CID 160993053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).