4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid

C79H68Br3FN18O10S4 — CID 158144966

About 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid

4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid (PubChem CID 158144966) has the molecular formula C79H68Br3FN18O10S4 and a molecular weight of 1816.51 g/mol. Its IUPAC name is 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid.

Molecular Properties

• Compound Name: 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid
• PubChem CID: 158144966
• Molecular Formula: C79H68Br3FN18O10S4
• Molecular Weight: 1816.51 g/mol
• Exact Mass: 1812.18
• IUPAC Name: 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid
• SMILES: CCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CCc1cnn2c(Nc3ccc(S(=O)(=O)O)cc3)cc(-c3ccccc3)nc12.O=S(=O)(O)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
• InChI: InChI=1S/C21H20BrN5O2S.C20H18BrN5O2S.C20H18N4O3S.C18H12BrFN4O3S/c1-2-12-24-30(28,29)17-10-8-16(9-11-17)25-20-13-19(15-6-4-3-5-7-15)26-21-18(22)14-23-27(20)21;1-2-23-29(27,28)16-10-8-15(9-11-16)24-19-12-18(14-6-4-3-5-7-14)25-20-17(21)13-22-26(19)20;1-2-14-13-21-24-19(22-16-8-10-17(11-9-16)28(25,26)27)12-18(23-20(14)24)15-6-4-3-5-7-15;19-14-10-21-24-17(22-11-5-7-12(8-6-11)28(25,26)27)9-16(23-18(14)24)13-3-1-2-4-15(13)20/h3-11,13-14,24-25H,2,12H2,1H3;3-13,23-24H,2H2,1H3;3-13,22H,2H2,1H3,(H,25,26,27);1-10,22H,(H,25,26,27)
• InChIKey: FUKDSYMXOSKPHJ-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 369.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1816.51
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid?

The IUPAC name of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid (CID 158144966) is 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid.

What is the SMILES notation for 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid?

The canonical SMILES for 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid is CCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CCc1cnn2c(Nc3ccc(S(=O)(=O)O)cc3)cc(-c3ccccc3)nc12.O=S(=O)(O)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.

What is the InChIKey of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid?

The InChIKey is FUKDSYMXOSKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2S.C20H18BrN5O2S.C20H18N4O3S.C18H12BrFN4O3S/c1-2-12-24-30(28,29)17-10-8-16(9-11-17)25-20-13-19(15-6-4-3-5-7-15)26-21-18(22)14-23-27(20)21;1-2-23-29(27,28)16-10-8-15(9-11-16)24-19-12-18(14-6-4-3-5-7-14)25-20-17(21)13-22-26(19)20;1-2-14-13-21-24-19(22-16-8-10-17(11-9-16)28(25,26)27)12-18(23-20(14)24)15-6-4-3-5-7-15;19-14-10-21-24-17(22-11-5-7-12(8-6-11)28(25,26)27)9-16(23-18(14)24)13-3-1-2-4-15(13)20/h3-11,13-14,24-25H,2,12H2,1H3;3-13,23-24H,2H2,1H3;3-13,22H,2H2,1H3,(H,25,26,27);1-10,22H,(H,25,26,27).

What are the key properties of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid?

4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid has a molecular weight of 1816.51 g/mol, XLogP of 17.03, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid is sourced from PubChem (CID 158144966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).