5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine

C16H13FN4O — CID 46219659

IUPAC5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(OCC#Cc3cccc(CF)n3)ccn2n1
InChIInChI=1S/C16H13FN4O/c1-12-10-15-19-16(7-8-21(15)20-12)22-9-3-6-13-4-2-5-14(11-17)18-13/h2,4-5,7-8,10H,9,11H2,1H3
InChIKeyWRAUVILVMZPEFS-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.33
Rot. Bonds3

About 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine

5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 46219659) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID46219659
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(OCC#Cc3cccc(CF)n3)ccn2n1
InChIInChI=1S/C16H13FN4O/c1-12-10-15-19-16(7-8-21(15)20-12)22-9-3-6-13-4-2-5-14(11-17)18-13/h2,4-5,7-8,10H,9,11H2,1H3
InChIKeyWRAUVILVMZPEFS-UHFFFAOYSA-N
XLogP2.33
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine (CID 46219659) is 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(OCC#Cc3cccc(CF)n3)ccn2n1.
What is the InChIKey of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WRAUVILVMZPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-12-10-15-19-16(7-8-21(15)20-12)22-9-3-6-13-4-2-5-14(11-17)18-13/h2,4-5,7-8,10H,9,11H2,1H3.
What are the key properties of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine?
5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 296.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46219659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).