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

C16H15F3N6O — CID 163354815

IUPAC5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)12-1-6-20-15(22-12)24-8-3-11(4-9-24)26-14-5-10-25-13(23-14)2-7-21-25/h1-2,5-7,10-11H,3-4,8-9H2
InChIKeySQABQEQVKGJMQV-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.59
Rot. Bonds3

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

5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163354815) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163354815
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)12-1-6-20-15(22-12)24-8-3-11(4-9-24)26-14-5-10-25-13(23-14)2-7-21-25/h1-2,5-7,10-11H,3-4,8-9H2
InChIKeySQABQEQVKGJMQV-UHFFFAOYSA-N
XLogP2.59
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163354815) is 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)n1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is SQABQEQVKGJMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)12-1-6-20-15(22-12)24-8-3-11(4-9-24)26-14-5-10-25-13(23-14)2-7-21-25/h1-2,5-7,10-11H,3-4,8-9H2.
What are the key properties of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine has a molecular weight of 364.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).