ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate

C33H47N5O5Si — CID 174037760

About ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate

ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate (PubChem CID 174037760) has the molecular formula C33H47N5O5Si and a molecular weight of 621.86 g/mol. Its IUPAC name is ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate
• PubChem CID: 174037760
• Molecular Formula: C33H47N5O5Si
• Molecular Weight: 621.86 g/mol
• Exact Mass: 621.33
• IUPAC Name: ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate
• SMILES: CCOC(=O)[C@@H]1C[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](C)N1C(=O)Cn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)cc(C)c21
• InChI: InChI=1S/C33H47N5O5Si/c1-12-42-31(41)27-15-33(9,19-43-44(10,11)32(6,7)8)22(4)38(27)28(40)18-37-30-20(2)13-24(25-16-34-23(5)35-17-25)14-26(30)29(36-37)21(3)39/h13-14,16-17,22,27H,12,15,18-19H2,1-11H3/t22-,27+,33-/m1/s1
• InChIKey: ALNBEXJMUWQSTH-VXLBRMLLSA-N
• XLogP: 5.89
• TPSA: 116.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.86
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate?

The IUPAC name of ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate (CID 174037760) is ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate.

What is the SMILES notation for ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate?

The canonical SMILES for ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](C)N1C(=O)Cn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)cc(C)c21.

What is the InChIKey of ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate?

The InChIKey is ALNBEXJMUWQSTH-VXLBRMLLSA-N. The full InChI is InChI=1S/C33H47N5O5Si/c1-12-42-31(41)27-15-33(9,19-43-44(10,11)32(6,7)8)22(4)38(27)28(40)18-37-30-20(2)13-24(25-16-34-23(5)35-17-25)14-26(30)29(36-37)21(3)39/h13-14,16-17,22,27H,12,15,18-19H2,1-11H3/t22-,27+,33-/m1/s1.

What are the key properties of ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate?

ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate has a molecular weight of 621.86 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2S,4S,5R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 174037760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).