5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H11F2N5O2 — CID 122478709

IUPAC5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)F)n3)nc12
InChIInChI=1S/C18H11F2N5O2/c19-16(20)14-5-1-4-13(23-14)15-10(3-2-7-21-15)12-6-8-25-17(24-12)11(9-22-25)18(26)27/h1-9,16H,(H,26,27)
InChIKeyWDIWOWWQGBVXOA-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.49
Rot. Bonds4

About 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 122478709) has the molecular formula C18H11F2N5O2 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID122478709
Molecular FormulaC18H11F2N5O2
Molecular Weight367.32 g/mol
Exact Mass367.09
IUPAC Name5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)F)n3)nc12
InChIInChI=1S/C18H11F2N5O2/c19-16(20)14-5-1-4-13(23-14)15-10(3-2-7-21-15)12-6-8-25-17(24-12)11(9-22-25)18(26)27/h1-9,16H,(H,26,27)
InChIKeyWDIWOWWQGBVXOA-UHFFFAOYSA-N
XLogP3.49
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(difluoromethyl)-5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]-1H-isoindole
CID 149200075
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 122478589
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 175176217
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
6-[2-[6-(difluoromethyl)-2-pyridinyl]-5-fluoro-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122478437
CID 118468758
CID 118468758
2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 59811149
1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601060
2-(difluoromethyl)-6-phenylpyridine
CID 151332992
5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154592188
5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 90095712

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 122478709) is 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)F)n3)nc12.
What is the InChIKey of 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is WDIWOWWQGBVXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O2/c19-16(20)14-5-1-4-13(23-14)15-10(3-2-7-21-15)12-6-8-25-17(24-12)11(9-22-25)18(26)27/h1-9,16H,(H,26,27).
What are the key properties of 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 367.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 122478709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).