5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

C17H16F3N5O — CID 163354857

IUPAC5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cccc(N2CCC(Oc3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)13-2-1-3-14(22-13)24-9-5-12(6-10-24)26-16-7-11-25-15(23-16)4-8-21-25/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyLORXPLHAFIJQDH-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.19
Rot. Bonds3

About 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163354857) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163354857
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cccc(N2CCC(Oc3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)13-2-1-3-14(22-13)24-9-5-12(6-10-24)26-16-7-11-25-15(23-16)4-8-21-25/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyLORXPLHAFIJQDH-UHFFFAOYSA-N
XLogP3.19
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163354857) is 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cccc(N2CCC(Oc3ccn4nccc4n3)CC2)n1.
What is the InChIKey of 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is LORXPLHAFIJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)13-2-1-3-14(22-13)24-9-5-12(6-10-24)26-16-7-11-25-15(23-16)4-8-21-25/h1-4,7-8,11-12H,5-6,9-10H2.
What are the key properties of 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine has a molecular weight of 363.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).