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

C17H17F3N6O — CID 163354876

IUPAC5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESCc1nc(N2CCC(Oc3ccn4nccc4n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H17F3N6O/c1-11-22-13(17(18,19)20)10-15(23-11)25-7-3-12(4-8-25)27-16-5-9-26-14(24-16)2-6-21-26/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyCEXUOCMFNRCLHW-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.89
Rot. Bonds3

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

5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163354876) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163354876
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESCc1nc(N2CCC(Oc3ccn4nccc4n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H17F3N6O/c1-11-22-13(17(18,19)20)10-15(23-11)25-7-3-12(4-8-25)27-16-5-9-26-14(24-16)2-6-21-26/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyCEXUOCMFNRCLHW-UHFFFAOYSA-N
XLogP2.89
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 166627387
4-[2-(5-Methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 166634775
4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
WO2023001061, Example 7
CID 166594735
5-fluoro-4-[1-(5-fluoropyrimidin-2-yl)ethoxy]-6-(4-methoxypiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
CID 25104723
5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-6-(4-methoxypiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
CID 69265188
N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-yloxypyrazol-1-yl)pyrimidin-4-amine
CID 132207343
N-(4,4-difluorocyclohexyl)-4-ethoxy-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132207637
1-[4-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 132207638
N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 139319795
4-But-2-ynoxy-6-[5-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 122375482
5-Methyl-7-[(1,1,1-trifluoropropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine
CID 126954734

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163354876) is 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is Cc1nc(N2CCC(Oc3ccn4nccc4n3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is CEXUOCMFNRCLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-11-22-13(17(18,19)20)10-15(23-11)25-7-3-12(4-8-25)27-16-5-9-26-14(24-16)2-6-21-26/h2,5-6,9-10,12H,3-4,7-8H2,1H3.
What are the key properties of 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine has a molecular weight of 378.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).