5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid

C23H15BrN6O3 — CID 70214249

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

5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid (PubChem CID 70214249) has the molecular formula C23H15BrN6O3 and a molecular weight of 503.32 g/mol. Its IUPAC name is 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
• PubChem CID: 70214249
• Molecular Formula: C23H15BrN6O3
• Molecular Weight: 503.32 g/mol
• Exact Mass: 502.04
• IUPAC Name: 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
• SMILES: Nc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C23H15BrN6O3/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/h1-12H,25H2,(H,31,32)
• InChIKey: SSUIOJQPERFODH-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 128.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.32
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid (CID 70214249) is 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid.

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

The canonical SMILES for 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid is Nc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

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

The InChIKey is SSUIOJQPERFODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN6O3/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/h1-12H,25H2,(H,31,32).

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

5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid has a molecular weight of 503.32 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 70214249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).