N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide

C27H40N8O2SSi — CID 59503776

About N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide (PubChem CID 59503776) has the molecular formula C27H40N8O2SSi and a molecular weight of 568.82 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide
• PubChem CID: 59503776
• Molecular Formula: C27H40N8O2SSi
• Molecular Weight: 568.82 g/mol
• Exact Mass: 568.28
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide
• SMILES: CCN(CCN(C)C)C(=O)c1csc(Nc2nc(C)cn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)c1
• InChI: InChI=1S/C27H40N8O2SSi/c1-8-33(10-9-32(3)4)27(36)21-13-24(38-18-21)31-25-26-28-15-23(35(26)16-20(2)30-25)22-14-29-34(17-22)19-37-11-12-39(5,6)7/h13-18H,8-12,19H2,1-7H3,(H,30,31)
• InChIKey: VLZISSQFTZVDPL-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.82
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide (CID 59503776) is N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide is CCN(CCN(C)C)C(=O)c1csc(Nc2nc(C)cn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide?

The InChIKey is VLZISSQFTZVDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N8O2SSi/c1-8-33(10-9-32(3)4)27(36)21-13-24(38-18-21)31-25-26-28-15-23(35(26)16-20(2)30-25)22-14-29-34(17-22)19-37-11-12-39(5,6)7/h13-18H,8-12,19H2,1-7H3,(H,30,31).

What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide?

N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide has a molecular weight of 568.82 g/mol, XLogP of 5.04, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59503776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).