sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide

C136H172Br3N20NaO20Si4 — CID 160647566

About sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide

sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide (PubChem CID 160647566) has the molecular formula C136H172Br3N20NaO20Si4 and a molecular weight of 2782.04 g/mol. Its IUPAC name is sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide
• PubChem CID: 160647566
• Molecular Formula: C136H172Br3N20NaO20Si4
• Molecular Weight: 2782.04 g/mol
• Exact Mass: 2776.96
• IUPAC Name: sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide
• SMILES: CCOC(=O)C(OC(C)=O)C1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1.CCOC(=O)C(OC(C)=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1.CCOC(=O)C(OC(C)=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCC(C(O)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.[Na+].[OH-]
• InChI: InChI=1S/C41H58BrN5O6Si2.C41H59N5O6Si2.C29H30BrN5O4.C25H24BrN5O3.Na.H2O/c1-9-52-41(49)38(53-29(2)48)32-17-15-31(16-18-32)37-36(42)40(46(27-50-21-23-54(3,4)5)28-51-22-24-55(6,7)8)47-39(45-37)34(26-44-47)33-19-20-35(43-25-33)30-13-11-10-12-14-30;1-9-51-41(48)39(52-30(2)47)33-17-15-32(16-18-33)37-25-38(45(28-49-21-23-53(3,4)5)29-50-22-24-54(6,7)8)46-40(44-37)35(27-43-46)34-19-20-36(42-26-34)31-13-11-10-12-14-31;1-3-38-29(37)26(39-17(2)36)20-11-9-19(10-12-20)25-24(30)27(31)35-28(34-25)22(16-33-35)21-13-14-23(32-15-21)18-7-5-4-6-8-18;26-20-21(15-6-8-16(9-7-15)22(32)25(33)34)30-24-18(13-29-31(24)23(20)27)17-10-11-19(28-12-17)14-4-2-1-3-5-14;;/h10-14,19-20,25-26,31-32,38H,9,15-18,21-24,27-28H2,1-8H3;10-14,19-20,25-27,32-33,39H,9,15-18,21-24,28-29H2,1-8H3;4-8,13-16,19-20,26H,3,9-12,31H2,1-2H3;1-5,10-13,15-16,22,32H,6-9,27H2,(H,33,34);;1H2/q;;;;+1;/p-1
• InChIKey: RJZHZLMIEWAREM-UHFFFAOYSA-M
• XLogP: 25.00
• TPSA: 513.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 48
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2782.04
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

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'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide?

The IUPAC name of sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide (CID 160647566) is sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide.

What is the SMILES notation for sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide?

The canonical SMILES for sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide is CCOC(=O)C(OC(C)=O)C1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1.CCOC(=O)C(OC(C)=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1.CCOC(=O)C(OC(C)=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCC(C(O)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.[Na+].[OH-].

What is the InChIKey of sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide?

The InChIKey is RJZHZLMIEWAREM-UHFFFAOYSA-M. The full InChI is InChI=1S/C41H58BrN5O6Si2.C41H59N5O6Si2.C29H30BrN5O4.C25H24BrN5O3.Na.H2O/c1-9-52-41(49)38(53-29(2)48)32-17-15-31(16-18-32)37-36(42)40(46(27-50-21-23-54(3,4)5)28-51-22-24-55(6,7)8)47-39(45-37)34(26-44-47)33-19-20-35(43-25-33)30-13-11-10-12-14-30;1-9-51-41(48)39(52-30(2)47)33-17-15-32(16-18-33)37-25-38(45(28-49-21-23-53(3,4)5)29-50-22-24-54(6,7)8)46-40(44-37)35(27-43-46)34-19-20-36(42-26-34)31-13-11-10-12-14-31;1-3-38-29(37)26(39-17(2)36)20-11-9-19(10-12-20)25-24(30)27(31)35-28(34-25)22(16-33-35)21-13-14-23(32-15-21)18-7-5-4-6-8-18;26-20-21(15-6-8-16(9-7-15)22(32)25(33)34)30-24-18(13-29-31(24)23(20)27)17-10-11-19(28-12-17)14-4-2-1-3-5-14;;/h10-14,19-20,25-26,31-32,38H,9,15-18,21-24,27-28H2,1-8H3;10-14,19-20,25-27,32-33,39H,9,15-18,21-24,28-29H2,1-8H3;4-8,13-16,19-20,26H,3,9-12,31H2,1-2H3;1-5,10-13,15-16,22,32H,6-9,27H2,(H,33,34);;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide?

sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide has a molecular weight of 2782.04 g/mol, XLogP of 25.00, 48 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;hydroxide is sourced from PubChem (CID 160647566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).