2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C18H10BrFN4O2 — CID 142600204

IUPAC2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)n2nc(-c3ccc(Br)cc3F)cc2n1
InChIInChI=1S/C18H10BrFN4O2/c19-11-1-2-12(13(20)7-11)14-9-17-22-15(18(25)26)8-16(24(17)23-14)10-3-5-21-6-4-10/h1-9H,(H,25,26)
InChIKeyGKMNJOBRSWSLAL-UHFFFAOYSA-N
MW413.21 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 142600204) has the molecular formula C18H10BrFN4O2 and a molecular weight of 413.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID142600204
Molecular FormulaC18H10BrFN4O2
Molecular Weight413.21 g/mol
Exact Mass412.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)n2nc(-c3ccc(Br)cc3F)cc2n1
InChIInChI=1S/C18H10BrFN4O2/c19-11-1-2-12(13(20)7-11)14-9-17-22-15(18(25)26)8-16(24(17)23-14)10-3-5-21-6-4-10/h1-9H,(H,25,26)
InChIKeyGKMNJOBRSWSLAL-UHFFFAOYSA-N
XLogP4.06
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
6-(3-Bromophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2123111
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-(4-Fluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600249
6-(2,4-Difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600250
1-(Pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600251
6-(4-Aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600253

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 142600204) is 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(-c2ccncc2)n2nc(-c3ccc(Br)cc3F)cc2n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is GKMNJOBRSWSLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrFN4O2/c19-11-1-2-12(13(20)7-11)14-9-17-22-15(18(25)26)8-16(24(17)23-14)10-3-5-21-6-4-10/h1-9H,(H,25,26).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 413.21 g/mol, XLogP of 4.06, 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-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 142600204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).