tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate

C34H47N9O4Si — CID 67034172

About tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate

tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate (PubChem CID 67034172) has the molecular formula C34H47N9O4Si and a molecular weight of 673.90 g/mol. Its IUPAC name is tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate
• PubChem CID: 67034172
• Molecular Formula: C34H47N9O4Si
• Molecular Weight: 673.90 g/mol
• Exact Mass: 673.35
• IUPAC Name: tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate
• SMILES: CC(C)[C@H]1CN(C2CN(C(=O)OC(C)(C)C)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2n1
• InChI: InChI=1S/C34H47N9O4Si/c1-23(2)28-20-41(26-18-39(19-26)33(45)47-34(3,4)5)32(44)43(28)29-13-14-42-31(37-29)27(17-36-42)24-9-11-25(12-10-24)30-35-21-40(38-30)22-46-15-16-48(6,7)8/h9-14,17,21,23,26,28H,15-16,18-20,22H2,1-8H3/t28-/m1/s1
• InChIKey: ACMLJWLLVPXBGL-MUUNZHRXSA-N
• XLogP: 5.85
• TPSA: 123.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.90
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
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 tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate (CID 67034172) is tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate is CC(C)[C@H]1CN(C2CN(C(=O)OC(C)(C)C)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2n1.

What is the InChIKey of tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate?

The InChIKey is ACMLJWLLVPXBGL-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H47N9O4Si/c1-23(2)28-20-41(26-18-39(19-26)33(45)47-34(3,4)5)32(44)43(28)29-13-14-42-31(37-29)27(17-36-42)24-9-11-25(12-10-24)30-35-21-40(38-30)22-46-15-16-48(6,7)8/h9-14,17,21,23,26,28H,15-16,18-20,22H2,1-8H3/t28-/m1/s1.

What are the key properties of tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate?

tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate has a molecular weight of 673.90 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[(4S)-2-oxo-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 67034172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).