5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

C15H15FN6O — CID 163356981

IUPAC5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFc1cncnc1N1CCC(Oc2ccn3nccc3n2)CC1
InChIInChI=1S/C15H15FN6O/c16-12-9-17-10-18-15(12)21-6-2-11(3-7-21)23-14-4-8-22-13(20-14)1-5-19-22/h1,4-5,8-11H,2-3,6-7H2
InChIKeyXJIYBVYAXBBARB-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.71
Rot. Bonds3

About 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163356981) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163356981
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFc1cncnc1N1CCC(Oc2ccn3nccc3n2)CC1
InChIInChI=1S/C15H15FN6O/c16-12-9-17-10-18-15(12)21-6-2-11(3-7-21)23-14-4-8-22-13(20-14)1-5-19-22/h1,4-5,8-11H,2-3,6-7H2
InChIKeyXJIYBVYAXBBARB-UHFFFAOYSA-N
XLogP1.71
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163356981) is 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is Fc1cncnc1N1CCC(Oc2ccn3nccc3n2)CC1.
What is the InChIKey of 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is XJIYBVYAXBBARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-12-9-17-10-18-15(12)21-6-2-11(3-7-21)23-14-4-8-22-13(20-14)1-5-19-22/h1,4-5,8-11H,2-3,6-7H2.
What are the key properties of 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine has a molecular weight of 314.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163356981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).