lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride

C111H184B4BrClLiN15O9Si3 — CID 159082158

About lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride

lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride (PubChem CID 159082158) has the molecular formula C111H184B4BrClLiN15O9Si3 and a molecular weight of 2122.59 g/mol. Its IUPAC name is lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride
• PubChem CID: 159082158
• Molecular Formula: C111H184B4BrClLiN15O9Si3
• Molecular Weight: 2122.59 g/mol
• Exact Mass: 2120.31
• IUPAC Name: lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride
• SMILES: C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CCCC1(C(=O)c2cnc3[nH]ccc3c2)CCCN1.CCCC1(C(=O)c2cnc3[nH]ccc3c2)CCCN1B(C)O.CCCC1(C(=O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1B(C)O.CCCC1(C(O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1B(C)O.CCCC1(C=O)CCCN1B(C)O.C[C-](C)C.Cl.[Li+]
• InChI: InChI=1S/C25H44BN3O2Si.C25H42BN3O2Si.C16H22BN3O2.C16H25BrN2Si.C15H19N3O.C9H18BNO2.C4H9.CH4.ClH.Li/c2*1-9-12-25(13-10-14-29(25)26(8)31)23(30)22-16-21-11-15-28(24(21)27-17-22)32(18(2)3,19(4)5)20(6)7;1-3-6-16(7-4-9-20(16)17(2)22)14(21)13-10-12-5-8-18-15(12)19-11-13;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-5-15(6-3-7-18-15)13(19)12-9-11-4-8-16-14(11)17-10-12;1-3-5-9(8-12)6-4-7-11(9)10(2)13;1-4(2)3;;;/h11,15-20,23,30-31H,9-10,12-14H2,1-8H3;11,15-20,31H,9-10,12-14H2,1-8H3;5,8,10-11,22H,3-4,6-7,9H2,1-2H3,(H,18,19);7-13H,1-6H3;4,8-10,18H,2-3,5-7H2,1H3,(H,16,17);8,13H,3-7H2,1-2H3;1-3H3;1H4;1H;/q;;;;;;-1;;;+1
• InChIKey: HWFZVXQNWGIVQC-UHFFFAOYSA-N
• XLogP: 23.42
• TPSA: 305.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2122.59
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride?

The IUPAC name of lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride (CID 159082158) is lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride.

What is the SMILES notation for lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride?

The canonical SMILES for lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride is C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CCCC1(C(=O)c2cnc3[nH]ccc3c2)CCCN1.CCCC1(C(=O)c2cnc3[nH]ccc3c2)CCCN1B(C)O.CCCC1(C(=O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1B(C)O.CCCC1(C(O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1B(C)O.CCCC1(C=O)CCCN1B(C)O.C[C-](C)C.Cl.[Li+].

What is the InChIKey of lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride?

The InChIKey is HWFZVXQNWGIVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44BN3O2Si.C25H42BN3O2Si.C16H22BN3O2.C16H25BrN2Si.C15H19N3O.C9H18BNO2.C4H9.CH4.ClH.Li/c2*1-9-12-25(13-10-14-29(25)26(8)31)23(30)22-16-21-11-15-28(24(21)27-17-22)32(18(2)3,19(4)5)20(6)7;1-3-6-16(7-4-9-20(16)17(2)22)14(21)13-10-12-5-8-18-15(12)19-11-13;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-5-15(6-3-7-18-15)13(19)12-9-11-4-8-16-14(11)17-10-12;1-3-5-9(8-12)6-4-7-11(9)10(2)13;1-4(2)3;;;/h11,15-20,23,30-31H,9-10,12-14H2,1-8H3;11,15-20,31H,9-10,12-14H2,1-8H3;5,8,10-11,22H,3-4,6-7,9H2,1-2H3,(H,18,19);7-13H,1-6H3;4,8-10,18H,2-3,5-7H2,1H3,(H,16,17);8,13H,3-7H2,1-2H3;1-3H3;1H4;1H;/q;;;;;;-1;;;+1.

What are the key properties of lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride?

lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride has a molecular weight of 2122.59 g/mol, XLogP of 23.42, 35 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;methane;2-methylpropane;methyl-[2-propyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-1-yl]borinic acid;methyl-[2-propyl-2-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-1-yl]borinic acid;(2-propylpyrrolidin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;hydrochloride is sourced from PubChem (CID 159082158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).