4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C16H14F3N5O — CID 8009259

IUPAC4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)15-21-13(23-6-8-25-9-7-23)12-10-20-24(14(12)22-15)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyNJFQEQYXHCRIKZ-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.67
Rot. Bonds2

About 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 8009259) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID8009259
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)15-21-13(23-6-8-25-9-7-23)12-10-20-24(14(12)22-15)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyNJFQEQYXHCRIKZ-UHFFFAOYSA-N
XLogP2.67
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 8009259) is 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is FC(F)(F)c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is NJFQEQYXHCRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)15-21-13(23-6-8-25-9-7-23)12-10-20-24(14(12)22-15)11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 349.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 8009259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).