tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate

C33H47N5O3Si — CID 123652420

About tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 123652420) has the molecular formula C33H47N5O3Si and a molecular weight of 589.86 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 123652420
• Molecular Formula: C33H47N5O3Si
• Molecular Weight: 589.86 g/mol
• Exact Mass: 589.34
• IUPAC Name: tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
• SMILES: Cc1cccc2ncc(-c3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)c3)n12
• InChI: InChI=1S/C33H47N5O3Si/c1-21(2)42(22(3)4,23(5)6)17-16-27-18-26(28-20-34-30-15-13-14-24(7)38(28)30)19-29(35-27)36-31(39)25(8)37(12)32(40)41-33(9,10)11/h13-15,18-23,25H,1-12H3,(H,35,36,39)
• InChIKey: VJEOWLTVZCLQTO-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.86
LogP ≤ 5	7.47
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-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (CID 123652420) is tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate is Cc1cccc2ncc(-c3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)c3)n12.

What is the InChIKey of tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?

The InChIKey is VJEOWLTVZCLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N5O3Si/c1-21(2)42(22(3)4,23(5)6)17-16-27-18-26(28-20-34-30-15-13-14-24(7)38(28)30)19-29(35-27)36-31(39)25(8)37(12)32(40)41-33(9,10)11/h13-15,18-23,25H,1-12H3,(H,35,36,39).

What are the key properties of tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?

tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 589.86 g/mol, XLogP of 7.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[1-[[4-(5-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 123652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).