5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

C17H20N6O — CID 163354823

IUPAC5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ncn1
InChIInChI=1S/C17H20N6O/c1-2-13-11-16(19-12-18-13)22-8-4-14(5-9-22)24-17-6-10-23-15(21-17)3-7-20-23/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3
InChIKeyJVRWFFJVBVMDAU-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.13
Rot. Bonds4

About 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163354823) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163354823
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ncn1
InChIInChI=1S/C17H20N6O/c1-2-13-11-16(19-12-18-13)22-8-4-14(5-9-22)24-17-6-10-23-15(21-17)3-7-20-23/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3
InChIKeyJVRWFFJVBVMDAU-UHFFFAOYSA-N
XLogP2.13
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163354823) is 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is CCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ncn1.
What is the InChIKey of 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is JVRWFFJVBVMDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-13-11-16(19-12-18-13)22-8-4-14(5-9-22)24-17-6-10-23-15(21-17)3-7-20-23/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3.
What are the key properties of 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).