2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid

C66H94BBr2IN10O8Si2 — CID 159769296

About 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid

2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid (PubChem CID 159769296) has the molecular formula C66H94BBr2IN10O8Si2 and a molecular weight of 1509.24 g/mol. Its IUPAC name is 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid.

Molecular Properties

• Compound Name: 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid
• PubChem CID: 159769296
• Molecular Formula: C66H94BBr2IN10O8Si2
• Molecular Weight: 1509.24 g/mol
• Exact Mass: 1506.43
• IUPAC Name: 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid
• SMILES: CC(C(=O)Nc1ccc(B(O)O)c(C#C[Si](C(C)C)(C(C)C)C(C)C)n1)N(C)C(=O)OC(C)(C)C.Cc1ccn2c(-c3ccc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)nc3C#C[Si](C(C)C)(C(C)C)C(C)C)c(Br)nc2c1.Cc1ccn2c(I)c(Br)nc2c1
• InChI: InChI=1S/C33H46BrN5O3Si.C25H42BN3O5Si.C8H6BrIN2/c1-20(2)43(21(3)4,22(5)6)18-16-26-25(29-30(34)37-28-19-23(7)15-17-39(28)29)13-14-27(35-26)36-31(40)24(8)38(12)32(41)42-33(9,10)11;1-16(2)35(17(3)4,18(5)6)15-14-21-20(26(32)33)12-13-22(27-21)28-23(30)19(7)29(11)24(31)34-25(8,9)10;1-5-2-3-12-6(4-5)11-7(9)8(12)10/h13-15,17,19-22,24H,1-12H3,(H,35,36,40);12-13,16-19,32-33H,1-11H3,(H,27,28,30);2-4H,1H3
• InChIKey: NFXGPICWEMTHHL-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 218.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.24
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid?

The IUPAC name of 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid (CID 159769296) is 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid.

What is the SMILES notation for 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid?

The canonical SMILES for 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid is CC(C(=O)Nc1ccc(B(O)O)c(C#C[Si](C(C)C)(C(C)C)C(C)C)n1)N(C)C(=O)OC(C)(C)C.Cc1ccn2c(-c3ccc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)nc3C#C[Si](C(C)C)(C(C)C)C(C)C)c(Br)nc2c1.Cc1ccn2c(I)c(Br)nc2c1.

What is the InChIKey of 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid?

The InChIKey is NFXGPICWEMTHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46BrN5O3Si.C25H42BN3O5Si.C8H6BrIN2/c1-20(2)43(21(3)4,22(5)6)18-16-26-25(29-30(34)37-28-19-23(7)15-17-39(28)29)13-14-27(35-26)36-31(40)24(8)38(12)32(41)42-33(9,10)11;1-16(2)35(17(3)4,18(5)6)15-14-21-20(26(32)33)12-13-22(27-21)28-23(30)19(7)29(11)24(31)34-25(8,9)10;1-5-2-3-12-6(4-5)11-7(9)8(12)10/h13-15,17,19-22,24H,1-12H3,(H,35,36,40);12-13,16-19,32-33H,1-11H3,(H,27,28,30);2-4H,1H3.

What are the key properties of 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid?

2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid has a molecular weight of 1509.24 g/mol, XLogP of 14.77, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;tert-butyl N-[1-[[5-(2-bromo-7-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;[6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]-2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]boronic acid is sourced from PubChem (CID 159769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).