methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate

C27H41N7O4SSi2 — CID 59503775

IUPACmethyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(N(COCC[Si](C)(C)C)c2nc(C)cn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)sn1
InChIInChI=1S/C27H41N7O4SSi2/c1-20-16-33-23(21-14-29-32(17-21)18-37-9-11-40(3,4)5)15-28-25(33)26(30-20)34(19-38-10-12-41(6,7)8)24-13-22(31-39-24)27(35)36-2/h13-17H,9-12,18-19H2,1-8H3
InChIKeyKPIJXUYSYDAIRT-UHFFFAOYSA-N
MW615.91 g/mol
LogP5.91
Rot. Bonds14

About methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate

methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate (PubChem CID 59503775) has the molecular formula C27H41N7O4SSi2 and a molecular weight of 615.91 g/mol. Its IUPAC name is methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate
PubChem CID59503775
Molecular FormulaC27H41N7O4SSi2
Molecular Weight615.91 g/mol
Exact Mass615.25
IUPAC Namemethyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(N(COCC[Si](C)(C)C)c2nc(C)cn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)sn1
InChIInChI=1S/C27H41N7O4SSi2/c1-20-16-33-23(21-14-29-32(17-21)18-37-9-11-40(3,4)5)15-28-25(33)26(30-20)34(19-38-10-12-41(6,7)8)24-13-22(31-39-24)27(35)36-2/h13-17H,9-12,18-19H2,1-8H3
InChIKeyKPIJXUYSYDAIRT-UHFFFAOYSA-N
XLogP5.91
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500615.91
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
The IUPAC name of methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate (CID 59503775) is methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
The canonical SMILES for methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate is COC(=O)c1cc(N(COCC[Si](C)(C)C)c2nc(C)cn3c(-c4cnn(COCC[Si](C)(C)C)c4)cnc23)sn1.
What is the InChIKey of methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
The InChIKey is KPIJXUYSYDAIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O4SSi2/c1-20-16-33-23(21-14-29-32(17-21)18-37-9-11-40(3,4)5)15-28-25(33)26(30-20)34(19-38-10-12-41(6,7)8)24-13-22(31-39-24)27(35)36-2/h13-17H,9-12,18-19H2,1-8H3.
What are the key properties of methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate has a molecular weight of 615.91 g/mol, XLogP of 5.91, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 59503775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).