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

C33H46BrN5O3Si — CID 131745967

About 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

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 (PubChem CID 131745967) has the molecular formula C33H46BrN5O3Si and a molecular weight of 668.75 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 131745967
• Molecular Formula: C33H46BrN5O3Si
• Molecular Weight: 668.75 g/mol
• Exact Mass: 667.26
• IUPAC Name: 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
• SMILES: 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
• InChI: InChI=1S/C33H46BrN5O3Si/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/h13-15,17,19-22,24H,1-12H3,(H,35,36,40)
• InChIKey: YVBDMQGMDSWTDF-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.75
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 131745967) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.

What is the InChIKey of 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?

The InChIKey is YVBDMQGMDSWTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46BrN5O3Si/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/h13-15,17,19-22,24H,1-12H3,(H,35,36,40).

What are the key properties of 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?

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 has a molecular weight of 668.75 g/mol, XLogP of 8.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 131745967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).