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

C15H11FN4O — CID 46219658

IUPAC5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESFCc1cccc(C#CCOc2ccn3nccc3n2)n1
InChIInChI=1S/C15H11FN4O/c16-11-13-4-1-3-12(18-13)5-2-10-21-15-7-9-20-14(19-15)6-8-17-20/h1,3-4,6-9H,10-11H2
InChIKeyDJMANKCYULIOKP-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.02
Rot. Bonds3

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

5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (PubChem CID 46219658) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
PubChem CID46219658
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESFCc1cccc(C#CCOc2ccn3nccc3n2)n1
InChIInChI=1S/C15H11FN4O/c16-11-13-4-1-3-12(18-13)5-2-10-21-15-7-9-20-14(19-15)6-8-17-20/h1,3-4,6-9H,10-11H2
InChIKeyDJMANKCYULIOKP-UHFFFAOYSA-N
XLogP2.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.02
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]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (CID 46219658) is 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is FCc1cccc(C#CCOc2ccn3nccc3n2)n1.
What is the InChIKey of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DJMANKCYULIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-11-13-4-1-3-12(18-13)5-2-10-21-15-7-9-20-14(19-15)6-8-17-20/h1,3-4,6-9H,10-11H2.
What are the key properties of 5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine has a molecular weight of 282.28 g/mol, XLogP of 2.02, 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]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46219658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).