N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine

C24H35N5OSi — CID 58177295

About N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine

N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine (PubChem CID 58177295) has the molecular formula C24H35N5OSi and a molecular weight of 437.66 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
• PubChem CID: 58177295
• Molecular Formula: C24H35N5OSi
• Molecular Weight: 437.66 g/mol
• Exact Mass: 437.26
• IUPAC Name: N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
• SMILES: Cc1ccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)n2)c(NC2CCCCC2)n1
• InChI: InChI=1S/C24H35N5OSi/c1-18-10-11-20(23(26-18)27-19-8-6-5-7-9-19)22-16-25-24-21(28-22)12-13-29(24)17-30-14-15-31(2,3)4/h10-13,16,19H,5-9,14-15,17H2,1-4H3,(H,26,27)
• InChIKey: YNEFYEPCKIMRTB-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.66
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

The IUPAC name of N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine (CID 58177295) is N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine.

What is the SMILES notation for N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

The canonical SMILES for N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine is Cc1ccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)n2)c(NC2CCCCC2)n1.

What is the InChIKey of N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

The InChIKey is YNEFYEPCKIMRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5OSi/c1-18-10-11-20(23(26-18)27-19-8-6-5-7-9-19)22-16-25-24-21(28-22)12-13-29(24)17-30-14-15-31(2,3)4/h10-13,16,19H,5-9,14-15,17H2,1-4H3,(H,26,27).

What are the key properties of N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine has a molecular weight of 437.66 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 58177295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).