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

C18H10F3N5O2 — CID 122478542

IUPAC5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C18H10F3N5O2/c19-18(20,21)14-5-1-4-13(24-14)15-10(3-2-7-22-15)12-6-8-26-16(25-12)11(9-23-26)17(27)28/h1-9H,(H,27,28)
InChIKeyYEIBAOLXVWAPOS-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.57
Rot. Bonds3

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

5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 122478542) has the molecular formula C18H10F3N5O2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID122478542
Molecular FormulaC18H10F3N5O2
Molecular Weight385.31 g/mol
Exact Mass385.08
IUPAC Name5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C18H10F3N5O2/c19-18(20,21)14-5-1-4-13(24-14)15-10(3-2-7-22-15)12-6-8-26-16(25-12)11(9-23-26)17(27)28/h1-9H,(H,27,28)
InChIKeyYEIBAOLXVWAPOS-UHFFFAOYSA-N
XLogP3.57
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 122478542) is 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.
What is the InChIKey of 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YEIBAOLXVWAPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O2/c19-18(20,21)14-5-1-4-13(24-14)15-10(3-2-7-22-15)12-6-8-26-16(25-12)11(9-23-26)17(27)28/h1-9H,(H,27,28).
What are the key properties of 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 385.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 122478542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).