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

C17H16F3N5O — CID 163354855

IUPAC5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-1-6-21-15(11-12)24-8-3-13(4-9-24)26-16-5-10-25-14(23-16)2-7-22-25/h1-2,5-7,10-11,13H,3-4,8-9H2
InChIKeyZSRBCLXEZFLMNZ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.19
Rot. Bonds3

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

5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163354855) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163354855
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-1-6-21-15(11-12)24-8-3-13(4-9-24)26-16-5-10-25-14(23-16)2-7-22-25/h1-2,5-7,10-11,13H,3-4,8-9H2
InChIKeyZSRBCLXEZFLMNZ-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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Related Compounds

5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
CID 163354823
6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline
CID 163354984
2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 163354425
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354956
4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 163352979
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104422
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine
CID 171335362
4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 175551989

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163354855) is 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is ZSRBCLXEZFLMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)12-1-6-21-15(11-12)24-8-3-13(4-9-24)26-16-5-10-25-14(23-16)2-7-22-25/h1-2,5-7,10-11,13H,3-4,8-9H2.
What are the key properties of 5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-[4-(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-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).