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

C23H15BrN6O3 — CID 70214249

IUPAC5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
SMILESNc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=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)
InChIKeySSUIOJQPERFODH-UHFFFAOYSA-N
MW503.32 g/mol
LogP4.69
Rot. Bonds5

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 Name5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
PubChem CID70214249
Molecular FormulaC23H15BrN6O3
Molecular Weight503.32 g/mol
Exact Mass502.04
IUPAC Name5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
SMILESNc1c(Br)c(Oc2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=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)
InChIKeySSUIOJQPERFODH-UHFFFAOYSA-N
XLogP4.69
TPSA128.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.32
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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).