5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate

C153H219BrClIN22O25Si10 — CID 159429289

About 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate

5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate (PubChem CID 159429289) has the molecular formula C153H219BrClIN22O25Si10 and a molecular weight of 3289.68 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate.

Molecular Properties

• Compound Name: 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate
• PubChem CID: 159429289
• Molecular Formula: C153H219BrClIN22O25Si10
• Molecular Weight: 3289.68 g/mol
• Exact Mass: 3285.22
• IUPAC Name: 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate
• SMILES: COC(=O)Cc1ccc(O)cc1.COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1.COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1.COC(=O)Cc1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)cc1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2ccnn12
• InChI: InChI=1S/C36H46BrN5O5Si2.C36H47N5O5Si2.C27H41IN4O5Si2.C27H42N4O5Si2.C18H33ClN4O2Si2.C9H10O3/c1-44-32(43)20-26-12-14-29(15-13-26)47-35-33(37)36(41(24-45-16-18-48(2,3)4)25-46-17-19-49(5,6)7)42-34(40-35)30(23-39-42)28-21-27-10-8-9-11-31(27)38-22-28;1-43-35(42)20-27-12-14-30(15-13-27)46-33-22-34(40(25-44-16-18-47(2,3)4)26-45-17-19-48(5,6)7)41-36(39-33)31(24-38-41)29-21-28-10-8-9-11-32(28)37-23-29;1-34-26(33)16-21-8-10-22(11-9-21)37-24-17-25(32-27(30-24)23(28)18-29-32)31(19-35-12-14-38(2,3)4)20-36-13-15-39(5,6)7;1-33-27(32)18-22-8-10-23(11-9-22)36-25-19-26(31-24(29-25)12-13-28-31)30(20-34-14-16-37(2,3)4)21-35-15-17-38(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;1-12-9(11)6-7-2-4-8(10)5-3-7/h8-15,21-23H,16-20,24-25H2,1-7H3;8-15,21-24H,16-20,25-26H2,1-7H3;8-11,17-18H,12-16,19-20H2,1-7H3;8-13,19H,14-18,20-21H2,1-7H3;7-8,13H,9-12,14-15H2,1-6H3;2-5,10H,6H2,1H3
• InChIKey: LQTWYOFSUWMMJH-UHFFFAOYSA-N
• XLogP: 34.39
• TPSA: 473.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 47
• Rotatable Bonds: 75
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3289.68
LogP ≤ 5	34.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	47

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 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate?

The IUPAC name of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate (CID 159429289) is 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate.

What is the SMILES notation for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate?

The canonical SMILES for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate is COC(=O)Cc1ccc(O)cc1.COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1.COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1.COC(=O)Cc1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)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 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate?

The InChIKey is LQTWYOFSUWMMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46BrN5O5Si2.C36H47N5O5Si2.C27H41IN4O5Si2.C27H42N4O5Si2.C18H33ClN4O2Si2.C9H10O3/c1-44-32(43)20-26-12-14-29(15-13-26)47-35-33(37)36(41(24-45-16-18-48(2,3)4)25-46-17-19-49(5,6)7)42-34(40-35)30(23-39-42)28-21-27-10-8-9-11-31(27)38-22-28;1-43-35(42)20-27-12-14-30(15-13-27)46-33-22-34(40(25-44-16-18-47(2,3)4)26-45-17-19-48(5,6)7)41-36(39-33)31(24-38-41)29-21-28-10-8-9-11-32(28)37-23-29;1-34-26(33)16-21-8-10-22(11-9-21)37-24-17-25(32-27(30-24)23(28)18-29-32)31(19-35-12-14-38(2,3)4)20-36-13-15-39(5,6)7;1-33-27(32)18-22-8-10-23(11-9-22)36-25-19-26(31-24(29-25)12-13-28-31)30(20-34-14-16-37(2,3)4)21-35-15-17-38(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;1-12-9(11)6-7-2-4-8(10)5-3-7/h8-15,21-23H,16-20,24-25H2,1-7H3;8-15,21-24H,16-20,25-26H2,1-7H3;8-11,17-18H,12-16,19-20H2,1-7H3;8-13,19H,14-18,20-21H2,1-7H3;7-8,13H,9-12,14-15H2,1-6H3;2-5,10H,6H2,1H3.

What are the key properties of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate?

5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 3289.68 g/mol, XLogP of 34.39, 75 rotatable bonds, 1 hydrogen bond donors, and 47 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 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 159429289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).