5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C122H179BClIN16O18Si8 — CID 159972678

About 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (PubChem CID 159972678) has the molecular formula C122H179BClIN16O18Si8 and a molecular weight of 2555.72 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

Molecular Properties

• Compound Name: 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• PubChem CID: 159972678
• Molecular Formula: C122H179BClIN16O18Si8
• Molecular Weight: 2555.72 g/mol
• Exact Mass: 2553.06
• IUPAC Name: 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• SMILES: COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)cc4)c3n2)cc1.COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1.COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2ccnn12
• InChI: InChI=1S/C38H48N4O4Si2.C26H39IN4O4Si2.C26H40N4O4Si2.C18H33ClN4O2Si2.C14H19BO4/c1-44-38(43)33-19-17-32(18-20-33)35-25-36(41(27-45-21-23-47(2,3)4)28-46-22-24-48(5,6)7)42-37(40-35)34(26-39-42)31-15-13-30(14-16-31)29-11-9-8-10-12-29;1-33-26(32)21-10-8-20(9-11-21)23-16-24(31-25(29-23)22(27)17-28-31)30(18-34-12-14-36(2,3)4)19-35-13-15-37(5,6)7;1-32-26(31)22-10-8-21(9-11-22)23-18-25(30-24(28-23)12-13-27-30)29(19-33-14-16-35(2,3)4)20-34-15-17-36(5,6)7;1-26(2,3)11-9-24-14-22(15-25-10-12-27(4,5)6)18-13-16(19)21-17-7-8-20-23(17)18;1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h8-20,25-26H,21-24,27-28H2,1-7H3;8-11,16-17H,12-15,18-19H2,1-7H3;8-13,18H,14-17,19-20H2,1-7H3;7-8,13H,9-12,14-15H2,1-6H3;6-9H,1-5H3
• InChIKey: OETFJPREULJLKN-UHFFFAOYSA-N
• XLogP: 27.37
• TPSA: 331.22 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 54
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2555.72
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

The IUPAC name of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CID 159972678) is 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

What is the SMILES notation for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

The canonical SMILES for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)cc4)c3n2)cc1.COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1.COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2ccnn12.

What is the InChIKey of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

The InChIKey is OETFJPREULJLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O4Si2.C26H39IN4O4Si2.C26H40N4O4Si2.C18H33ClN4O2Si2.C14H19BO4/c1-44-38(43)33-19-17-32(18-20-33)35-25-36(41(27-45-21-23-47(2,3)4)28-46-22-24-48(5,6)7)42-37(40-35)34(26-39-42)31-15-13-30(14-16-31)29-11-9-8-10-12-29;1-33-26(32)21-10-8-20(9-11-21)23-16-24(31-25(29-23)22(27)17-28-31)30(18-34-12-14-36(2,3)4)19-35-13-15-37(5,6)7;1-32-26(31)22-10-8-21(9-11-22)23-18-25(30-24(28-23)12-13-27-30)29(19-33-14-16-35(2,3)4)20-34-15-17-36(5,6)7;1-26(2,3)11-9-24-14-22(15-25-10-12-27(4,5)6)18-13-16(19)21-17-7-8-20-23(17)18;1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h8-20,25-26H,21-24,27-28H2,1-7H3;8-11,16-17H,12-15,18-19H2,1-7H3;8-13,18H,14-17,19-20H2,1-7H3;7-8,13H,9-12,14-15H2,1-6H3;6-9H,1-5H3.

What are the key properties of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate has a molecular weight of 2555.72 g/mol, XLogP of 27.37, 54 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is sourced from PubChem (CID 159972678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).