lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride

C106H142B3BrClLiN8O8Si2 — CID 158900568

IUPAClithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride
SMILESCB(O)N1CCCC1(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CB(O)N1CCCC1(Cc1ccccc1)C(=O)c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.COC(=O)[C@]1(Cc2ccccc2)CCCN1B(C)O.C[C-](C)C.Cl.O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1.[Li+]
InChIInChI=1S/C30H43BN2O2Si.C21H23BN2O2.C20H20N2O.C17H26BrNSi.C14H20BNO3.C4H9.ClH.Li/c1-22(2)36(23(3)4,24(5)6)32-19-16-26-20-27(14-15-28(26)32)29(34)30(17-11-18-33(30)31(7)35)21-25-12-9-8-10-13-25;1-22(26)24-13-5-11-21(24,15-16-6-3-2-4-7-16)20(25)18-8-9-19-17(14-18)10-12-23-19;23-19(17-7-8-18-16(13-17)9-12-21-18)20(10-4-11-22-20)14-15-5-2-1-3-6-15;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-15(18)16-10-6-9-14(16,13(17)19-2)11-12-7-4-3-5-8-12;1-4(2)3;;/h8-10,12-16,19-20,22-24,35H,11,17-18,21H2,1-7H3;2-4,6-10,12,14,23,26H,5,11,13,15H2,1H3;1-3,5-9,12-13,21-22H,4,10-11,14H2;7-14H,1-6H3;3-5,7-8,18H,6,9-11H2,1-2H3;1-3H3;1H;/q;;;;;-1;;+1/t;;;;14-;;;/m....1.../s1
InChIKeyMCOXBNYGBQCDBE-GPGLHNNISA-N
MW1867.26 g/mol
LogP21.11
Rot. Bonds26

About lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride

lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride (PubChem CID 158900568) has the molecular formula C106H142B3BrClLiN8O8Si2 and a molecular weight of 1867.26 g/mol. Its IUPAC name is lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride.

Molecular Properties

Compound Namelithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride
PubChem CID158900568
Molecular FormulaC106H142B3BrClLiN8O8Si2
Molecular Weight1867.26 g/mol
Exact Mass1864.98
IUPAC Namelithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride
SMILESCB(O)N1CCCC1(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CB(O)N1CCCC1(Cc1ccccc1)C(=O)c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.COC(=O)[C@]1(Cc2ccccc2)CCCN1B(C)O.C[C-](C)C.Cl.O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1.[Li+]
InChIInChI=1S/C30H43BN2O2Si.C21H23BN2O2.C20H20N2O.C17H26BrNSi.C14H20BNO3.C4H9.ClH.Li/c1-22(2)36(23(3)4,24(5)6)32-19-16-26-20-27(14-15-28(26)32)29(34)30(17-11-18-33(30)31(7)35)21-25-12-9-8-10-13-25;1-22(26)24-13-5-11-21(24,15-16-6-3-2-4-7-16)20(25)18-8-9-19-17(14-18)10-12-23-19;23-19(17-7-8-18-16(13-17)9-12-21-18)20(10-4-11-22-20)14-15-5-2-1-3-6-15;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-15(18)16-10-6-9-14(16,13(17)19-2)11-12-7-4-3-5-8-12;1-4(2)3;;/h8-10,12-16,19-20,22-24,35H,11,17-18,21H2,1-7H3;2-4,6-10,12,14,23,26H,5,11,13,15H2,1H3;1-3,5-9,12-13,21-22H,4,10-11,14H2;7-14H,1-6H3;3-5,7-8,18H,6,9-11H2,1-2H3;1-3H3;1H;/q;;;;;-1;;+1/t;;;;14-;;;/m....1.../s1
InChIKeyMCOXBNYGBQCDBE-GPGLHNNISA-N
XLogP21.11
TPSA201.39 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001867.26
LogP ≤ 521.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride with MolForge

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Related Compounds

lithium;(5-bromoindol-1-yl)-methylborinic acid;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-[hydroxy(methyl)boranyl]indol-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;[2-[1-[hydroxy(methyl)boranyl]indole-5-carbonyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;1H-indol-5-yl-(2-propylpyrrolidin-2-yl)methanone;2-methylpropane;2,2,2-trifluoroacetaldehyde
CID 157139151
lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid
CID 159030404
5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane
CID 159904496
5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;3-(5-ethyl-1H-indol-3-yl)propanoic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane
CID 160433747
lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3R)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid;hydrochloride
CID 161175249

Frequently Asked Questions

What is the IUPAC name of lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride?
The IUPAC name of lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride (CID 158900568) is lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride.
What is the SMILES notation for lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride?
The canonical SMILES for lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride is CB(O)N1CCCC1(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CB(O)N1CCCC1(Cc1ccccc1)C(=O)c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.COC(=O)[C@]1(Cc2ccccc2)CCCN1B(C)O.C[C-](C)C.Cl.O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1.[Li+].
What is the InChIKey of lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride?
The InChIKey is MCOXBNYGBQCDBE-GPGLHNNISA-N. The full InChI is InChI=1S/C30H43BN2O2Si.C21H23BN2O2.C20H20N2O.C17H26BrNSi.C14H20BNO3.C4H9.ClH.Li/c1-22(2)36(23(3)4,24(5)6)32-19-16-26-20-27(14-15-28(26)32)29(34)30(17-11-18-33(30)31(7)35)21-25-12-9-8-10-13-25;1-22(26)24-13-5-11-21(24,15-16-6-3-2-4-7-16)20(25)18-8-9-19-17(14-18)10-12-23-19;23-19(17-7-8-18-16(13-17)9-12-21-18)20(10-4-11-22-20)14-15-5-2-1-3-6-15;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-15(18)16-10-6-9-14(16,13(17)19-2)11-12-7-4-3-5-8-12;1-4(2)3;;/h8-10,12-16,19-20,22-24,35H,11,17-18,21H2,1-7H3;2-4,6-10,12,14,23,26H,5,11,13,15H2,1H3;1-3,5-9,12-13,21-22H,4,10-11,14H2;7-14H,1-6H3;3-5,7-8,18H,6,9-11H2,1-2H3;1-3H3;1H;/q;;;;;-1;;+1/t;;;;14-;;;/m....1.../s1.
What are the key properties of lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride?
lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride has a molecular weight of 1867.26 g/mol, XLogP of 21.11, 26 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride is sourced from PubChem (CID 158900568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).