2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C18H9BrF2N4O2 — CID 142600191

IUPAC2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cncc(F)c2)n2nc(-c3ccc(Br)cc3F)cc2n1
InChIInChI=1S/C18H9BrF2N4O2/c19-10-1-2-12(13(21)4-10)14-6-17-23-15(18(26)27)5-16(25(17)24-14)9-3-11(20)8-22-7-9/h1-8H,(H,26,27)
InChIKeyPLIWIHINHGSQLU-UHFFFAOYSA-N
MW431.20 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 142600191) has the molecular formula C18H9BrF2N4O2 and a molecular weight of 431.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID142600191
Molecular FormulaC18H9BrF2N4O2
Molecular Weight431.20 g/mol
Exact Mass429.99
IUPAC Name2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cncc(F)c2)n2nc(-c3ccc(Br)cc3F)cc2n1
InChIInChI=1S/C18H9BrF2N4O2/c19-10-1-2-12(13(21)4-10)14-6-17-23-15(18(26)27)5-16(25(17)24-14)9-3-11(20)8-22-7-9/h1-8H,(H,26,27)
InChIKeyPLIWIHINHGSQLU-UHFFFAOYSA-N
XLogP4.20
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 142600191) is 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(-c2cncc(F)c2)n2nc(-c3ccc(Br)cc3F)cc2n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is PLIWIHINHGSQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrF2N4O2/c19-10-1-2-12(13(21)4-10)14-6-17-23-15(18(26)27)5-16(25(17)24-14)9-3-11(20)8-22-7-9/h1-8H,(H,26,27).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 431.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 142600191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).