4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine

C17H25N5S — CID 70719942

IUPAC4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine
SMILESCCc1cc(N2CCC(N3CCSCC3)CC2)n2nccc2n1
InChIInChI=1S/C17H25N5S/c1-2-14-13-17(22-16(19-14)3-6-18-22)21-7-4-15(5-8-21)20-9-11-23-12-10-20/h3,6,13,15H,2,4-5,7-12H2,1H3
InChIKeyQRGDPNJHFRNRME-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.31
Rot. Bonds3

About 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine

4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine (PubChem CID 70719942) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine
PubChem CID70719942
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine
SMILESCCc1cc(N2CCC(N3CCSCC3)CC2)n2nccc2n1
InChIInChI=1S/C17H25N5S/c1-2-14-13-17(22-16(19-14)3-6-18-22)21-7-4-15(5-8-21)20-9-11-23-12-10-20/h3,6,13,15H,2,4-5,7-12H2,1H3
InChIKeyQRGDPNJHFRNRME-UHFFFAOYSA-N
XLogP2.31
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine (CID 70719942) is 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine is CCc1cc(N2CCC(N3CCSCC3)CC2)n2nccc2n1.
What is the InChIKey of 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine?
The InChIKey is QRGDPNJHFRNRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-2-14-13-17(22-16(19-14)3-6-18-22)21-7-4-15(5-8-21)20-9-11-23-12-10-20/h3,6,13,15H,2,4-5,7-12H2,1H3.
What are the key properties of 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine?
4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine has a molecular weight of 331.49 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 70719942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).