ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate

C22H29ClN6O3Si — CID 123570217

About ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate

ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate (PubChem CID 123570217) has the molecular formula C22H29ClN6O3Si and a molecular weight of 489.05 g/mol. Its IUPAC name is ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate
• PubChem CID: 123570217
• Molecular Formula: C22H29ClN6O3Si
• Molecular Weight: 489.05 g/mol
• Exact Mass: 488.18
• IUPAC Name: ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1(c2nnc(-c3nn(COCC[Si](C)(C)C)c4nc(C)ccc34)nc2Cl)CC1
• InChI: InChI=1S/C22H29ClN6O3Si/c1-6-32-21(30)22(9-10-22)17-18(23)25-19(27-26-17)16-15-8-7-14(2)24-20(15)29(28-16)13-31-11-12-33(3,4)5/h7-8H,6,9-13H2,1-5H3
• InChIKey: RZPLDGBHEGWRHF-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 104.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.05
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate (CID 123570217) is ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2nnc(-c3nn(COCC[Si](C)(C)C)c4nc(C)ccc34)nc2Cl)CC1.

What is the InChIKey of ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate?

The InChIKey is RZPLDGBHEGWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O3Si/c1-6-32-21(30)22(9-10-22)17-18(23)25-19(27-26-17)16-15-8-7-14(2)24-20(15)29(28-16)13-31-11-12-33(3,4)5/h7-8H,6,9-13H2,1-5H3.

What are the key properties of ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate?

ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate has a molecular weight of 489.05 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 123570217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).