N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide

C37H50ClN3O6Si — CID 22091441

About N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide

N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide (PubChem CID 22091441) has the molecular formula C37H50ClN3O6Si and a molecular weight of 696.36 g/mol. Its IUPAC name is N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

• Compound Name: N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
• PubChem CID: 22091441
• Molecular Formula: C37H50ClN3O6Si
• Molecular Weight: 696.36 g/mol
• Exact Mass: 695.32
• IUPAC Name: N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
• SMILES: COc1ccc(OC)c(C(O[Si](C)(C)C(C)(C)C)c2c(CN(CCC(C)C)C(=O)c3ccc(OC)c(OC)c3Cl)nc3ccccn23)c1
• InChI: InChI=1S/C37H50ClN3O6Si/c1-24(2)19-21-40(36(42)26-16-18-30(45-8)35(46-9)32(26)38)23-28-33(41-20-13-12-14-31(41)39-28)34(47-48(10,11)37(3,4)5)27-22-25(43-6)15-17-29(27)44-7/h12-18,20,22,24,34H,19,21,23H2,1-11H3
• InChIKey: CPHRUYHHMZRERO-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 83.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.36
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?

The IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide (CID 22091441) is N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide.

What is the SMILES notation for N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?

The canonical SMILES for N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide is COc1ccc(OC)c(C(O[Si](C)(C)C(C)(C)C)c2c(CN(CCC(C)C)C(=O)c3ccc(OC)c(OC)c3Cl)nc3ccccn23)c1.

What is the InChIKey of N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?

The InChIKey is CPHRUYHHMZRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50ClN3O6Si/c1-24(2)19-21-40(36(42)26-16-18-30(45-8)35(46-9)32(26)38)23-28-33(41-20-13-12-14-31(41)39-28)34(47-48(10,11)37(3,4)5)27-22-25(43-6)15-17-29(27)44-7/h12-18,20,22,24,34H,19,21,23H2,1-11H3.

What are the key properties of N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?

N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 696.36 g/mol, XLogP of 8.82, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[tert-butyl(dimethyl)silyl]oxy-(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 22091441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).