N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide

C40H43F2N5O5Si — CID 171796425

About N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796425) has the molecular formula C40H43F2N5O5Si and a molecular weight of 739.90 g/mol. Its IUPAC name is N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171796425
• Molecular Formula: C40H43F2N5O5Si
• Molecular Weight: 739.90 g/mol
• Exact Mass: 739.30
• IUPAC Name: N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)F)n2)cc1NC(=O)c1cnc2cc(OCC(C)(C)O)ccn12
• InChI: InChI=1S/C40H43F2N5O5Si/c1-26-17-18-27(21-31(26)44-38(48)32-24-43-34-22-28(19-20-47(32)34)50-25-40(5,6)49)37-45-35(51-46-37)23-33(36(41)42)52-53(39(2,3)4,29-13-9-7-10-14-29)30-15-11-8-12-16-30/h7-22,24,33,36,49H,23,25H2,1-6H3,(H,44,48)/t33-/m0/s1
• InChIKey: AAJNCSIUULNVSN-XIFFEERXSA-N
• XLogP: 6.85
• TPSA: 124.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.90
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 171796425) is N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)F)n2)cc1NC(=O)c1cnc2cc(OCC(C)(C)O)ccn12.

What is the InChIKey of N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is AAJNCSIUULNVSN-XIFFEERXSA-N. The full InChI is InChI=1S/C40H43F2N5O5Si/c1-26-17-18-27(21-31(26)44-38(48)32-24-43-34-22-28(19-20-47(32)34)50-25-40(5,6)49)37-45-35(51-46-37)23-33(36(41)42)52-53(39(2,3)4,29-13-9-7-10-14-29)30-15-11-8-12-16-30/h7-22,24,33,36,49H,23,25H2,1-6H3,(H,44,48)/t33-/m0/s1.

What are the key properties of N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 739.90 g/mol, XLogP of 6.85, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).