5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid

C89H58Br4N24O8 — CID 158333966

About 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid

5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid (PubChem CID 158333966) has the molecular formula C89H58Br4N24O8 and a molecular weight of 1911.22 g/mol. Its IUPAC name is 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid.

Molecular Properties

• Compound Name: 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
• PubChem CID: 158333966
• Molecular Formula: C89H58Br4N24O8
• Molecular Weight: 1911.22 g/mol
• Exact Mass: 1906.16
• IUPAC Name: 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
• SMILES: Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cn2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12
• InChI: InChI=1S/2C23H15BrN6O2.C22H14BrN5O2.C21H14BrN7O2/c24-19-20(18-9-7-15(11-27-18)23(31)32)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-19-20(15-7-9-18(23(31)32)27-11-15)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;23-18-19(12-5-7-13(8-6-12)22(29)30)27-21-16(11-26-28(21)20(18)24)15-9-14-3-1-2-4-17(14)25-10-15;22-17-18(12-6-7-16(21(30)31)24-8-12)27-20-15(10-26-29(20)19(17)23)13-9-25-28(11-13)14-4-2-1-3-5-14/h2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,29,30);1-11H,23H2,(H,30,31)
• InChIKey: GQIVTBKVXUBXFI-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 469.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.22
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid (CID 158333966) is 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid.

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

The canonical SMILES for 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid is Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cn2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.

What is the InChIKey of 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid?

The InChIKey is GQIVTBKVXUBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H15BrN6O2.C22H14BrN5O2.C21H14BrN7O2/c24-19-20(18-9-7-15(11-27-18)23(31)32)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-19-20(15-7-9-18(23(31)32)27-11-15)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;23-18-19(12-5-7-13(8-6-12)22(29)30)27-21-16(11-26-28(21)20(18)24)15-9-14-3-1-2-4-17(14)25-10-15;22-17-18(12-6-7-16(21(30)31)24-8-12)27-20-15(10-26-29(20)19(17)23)13-9-25-28(11-13)14-4-2-1-3-5-14/h2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,29,30);1-11H,23H2,(H,30,31).

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

5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid has a molecular weight of 1911.22 g/mol, XLogP of 17.47, 15 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid is sourced from PubChem (CID 158333966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).