methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C39H50N14O5S2Si2 — CID 158971759

About methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 158971759) has the molecular formula C39H50N14O5S2Si2 and a molecular weight of 915.23 g/mol. Its IUPAC name is methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 158971759
• Molecular Formula: C39H50N14O5S2Si2
• Molecular Weight: 915.23 g/mol
• Exact Mass: 914.31
• IUPAC Name: methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• SMILES: COC(=O)c1cc(Nc2nccn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)sn1.C[Si](C)(C)CCOCn1cc(-c2cnc3c(Nc4cc(CO)ns4)nccn23)cn1
• InChI: InChI=1S/C20H25N7O3SSi.C19H25N7O2SSi/c1-29-20(28)15-9-17(31-25-15)24-18-19-22-11-16(27(19)6-5-21-18)14-10-23-26(12-14)13-30-7-8-32(2,3)4;1-30(2,3)7-6-28-13-25-11-14(9-22-25)16-10-21-19-18(20-4-5-26(16)19)23-17-8-15(12-27)24-29-17/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,24);4-5,8-11,27H,6-7,12-13H2,1-3H3,(H,20,23)
• InChIKey: JNXHSTPWUMOBBS-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 210.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.23
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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 methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 158971759) is methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

What is the SMILES notation for methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The canonical SMILES for methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is COC(=O)c1cc(Nc2nccn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)sn1.C[Si](C)(C)CCOCn1cc(-c2cnc3c(Nc4cc(CO)ns4)nccn23)cn1.

What is the InChIKey of methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The InChIKey is JNXHSTPWUMOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3SSi.C19H25N7O2SSi/c1-29-20(28)15-9-17(31-25-15)24-18-19-22-11-16(27(19)6-5-21-18)14-10-23-26(12-14)13-30-7-8-32(2,3)4;1-30(2,3)7-6-28-13-25-11-14(9-22-25)16-10-21-19-18(20-4-5-26(16)19)23-17-8-15(12-27)24-29-17/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,24);4-5,8-11,27H,6-7,12-13H2,1-3H3,(H,20,23).

What are the key properties of methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 915.23 g/mol, XLogP of 7.49, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 158971759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).