5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide

C32H35N7O3Si — CID 162431814

About 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide

5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide (PubChem CID 162431814) has the molecular formula C32H35N7O3Si and a molecular weight of 593.76 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide.

Molecular Properties

• Compound Name: 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
• PubChem CID: 162431814
• Molecular Formula: C32H35N7O3Si
• Molecular Weight: 593.76 g/mol
• Exact Mass: 593.26
• IUPAC Name: 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
• SMILES: Cc1cc(Nc2ncnc3ccc(NC(=O)C#CCCO[Si](C)(C)C(C)(C)C)cc23)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C32H35N7O3Si/c1-22-17-23(11-13-28(22)42-25-14-15-39-29(19-25)34-21-36-39)38-31-26-18-24(10-12-27(26)33-20-35-31)37-30(40)9-7-8-16-41-43(5,6)32(2,3)4/h10-15,17-21H,8,16H2,1-6H3,(H,37,40)(H,33,35,38)
• InChIKey: SPGRHRUYTFRCEH-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 115.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.76
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide?

The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide (CID 162431814) is 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide.

What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide?

The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide is Cc1cc(Nc2ncnc3ccc(NC(=O)C#CCCO[Si](C)(C)C(C)(C)C)cc23)ccc1Oc1ccn2ncnc2c1.

What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide?

The InChIKey is SPGRHRUYTFRCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O3Si/c1-22-17-23(11-13-28(22)42-25-14-15-39-29(19-25)34-21-36-39)38-31-26-18-24(10-12-27(26)33-20-35-31)37-30(40)9-7-8-16-41-43(5,6)32(2,3)4/h10-15,17-21H,8,16H2,1-6H3,(H,37,40)(H,33,35,38).

What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide?

5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide has a molecular weight of 593.76 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide is sourced from PubChem (CID 162431814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).