4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid

C90H59Br4N25O12 — CID 157327979

About 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid

4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid (PubChem CID 157327979) has the molecular formula C90H59Br4N25O12 and a molecular weight of 2002.24 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
• PubChem CID: 157327979
• Molecular Formula: C90H59Br4N25O12
• Molecular Weight: 2002.24 g/mol
• Exact Mass: 1997.15
• IUPAC Name: 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
• SMILES: Nc1c(Br)c(Oc2ccc(C(=O)O)cc2)nc2c(-c3cnc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12
• InChI: InChI=1S/2C23H15BrN6O3.C22H14BrN7O3.C22H15BrN6O3/c24-19-20(25)30-21(29-22(19)33-15-7-9-18(23(31)32)27-11-15)16(12-28-30)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-18-19(25)30-21(29-22(18)33-16-8-6-14(7-9-16)23(31)32)17(12-28-30)15-10-26-20(27-11-15)13-4-2-1-3-5-13;23-18-19(24)30-20(29-21(18)33-14-4-6-17(22(31)32)27-10-14)15(11-28-30)12-3-5-16(26-9-12)13-2-1-7-25-8-13;23-18-19(24)29-20(27-21(18)32-16-8-6-13(7-9-16)22(30)31)17(11-26-29)14-10-25-28(12-14)15-4-2-1-3-5-15/h2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,31,32);1-12H,24H2,(H,30,31)
• InChIKey: BEYKYUKJCYTUQK-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 519.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.24
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid?

The IUPAC name of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid (CID 157327979) is 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid.

What is the SMILES notation for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid?

The canonical SMILES for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid is Nc1c(Br)c(Oc2ccc(C(=O)O)cc2)nc2c(-c3cnc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.

What is the InChIKey of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid?

The InChIKey is BEYKYUKJCYTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H15BrN6O3.C22H14BrN7O3.C22H15BrN6O3/c24-19-20(25)30-21(29-22(19)33-15-7-9-18(23(31)32)27-11-15)16(12-28-30)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-18-19(25)30-21(29-22(18)33-16-8-6-14(7-9-16)23(31)32)17(12-28-30)15-10-26-20(27-11-15)13-4-2-1-3-5-13;23-18-19(24)30-20(29-21(18)33-14-4-6-17(22(31)32)27-10-14)15(11-28-30)12-3-5-16(26-9-12)13-2-1-7-25-8-13;23-18-19(24)29-20(27-21(18)32-16-8-6-13(7-9-16)22(30)31)17(11-26-29)14-10-25-28(12-14)15-4-2-1-3-5-15/h2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,31,32);1-12H,24H2,(H,30,31).

What are the key properties of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid?

4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid has a molecular weight of 2002.24 g/mol, XLogP of 17.88, 20 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 157327979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).