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

C34H49N5O3Si — CID 123495951

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

tert-butyl N-[1-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 123495951) has the molecular formula C34H49N5O3Si and a molecular weight of 603.88 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-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-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• PubChem CID: 123495951
• Molecular Formula: C34H49N5O3Si
• Molecular Weight: 603.88 g/mol
• Exact Mass: 603.36
• IUPAC Name: tert-butyl N-[1-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• SMILES: Cc1nc2cccc(-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)n2c1C
• InChI: InChI=1S/C34H49N5O3Si/c1-21(2)43(22(3)4,23(5)6)18-17-28-19-27(29-15-14-16-31-35-24(7)25(8)39(29)31)20-30(36-28)37-32(40)26(9)38(13)33(41)42-34(10,11)12/h14-16,19-23,26H,1-13H3,(H,36,37,40)
• InChIKey: ZIBFZLKCDGJOCR-UHFFFAOYSA-N
• XLogP: 7.78
• 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	603.88
LogP ≤ 5	7.78
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-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-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-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 123495951) is tert-butyl N-[1-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-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-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-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-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is Cc1nc2cccc(-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)n2c1C.

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

The InChIKey is ZIBFZLKCDGJOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N5O3Si/c1-21(2)43(22(3)4,23(5)6)18-17-28-19-27(29-15-14-16-31-35-24(7)25(8)39(29)31)20-30(36-28)37-32(40)26(9)38(13)33(41)42-34(10,11)12/h14-16,19-23,26H,1-13H3,(H,36,37,40).

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

tert-butyl N-[1-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 603.88 g/mol, XLogP of 7.78, 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-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 123495951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).