7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline

C16H10F3N5O — CID 48932196

IUPAC7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline
SMILESCn1ncc2c(Oc3ccc4ccc(C(F)(F)F)nc4c3)ncnc21
InChIInChI=1S/C16H10F3N5O/c1-24-14-11(7-22-24)15(21-8-20-14)25-10-4-2-9-3-5-13(16(17,18)19)23-12(9)6-10/h2-8H,1H3
InChIKeyYXIHGZIQZCFUFU-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.72
Rot. Bonds2

About 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline

7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline (PubChem CID 48932196) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline
PubChem CID48932196
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline
SMILESCn1ncc2c(Oc3ccc4ccc(C(F)(F)F)nc4c3)ncnc21
InChIInChI=1S/C16H10F3N5O/c1-24-14-11(7-22-24)15(21-8-20-14)25-10-4-2-9-3-5-13(16(17,18)19)23-12(9)6-10/h2-8H,1H3
InChIKeyYXIHGZIQZCFUFU-UHFFFAOYSA-N
XLogP3.72
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline (CID 48932196) is 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline is Cn1ncc2c(Oc3ccc4ccc(C(F)(F)F)nc4c3)ncnc21.
What is the InChIKey of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline?
The InChIKey is YXIHGZIQZCFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c1-24-14-11(7-22-24)15(21-8-20-14)25-10-4-2-9-3-5-13(16(17,18)19)23-12(9)6-10/h2-8H,1H3.
What are the key properties of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline?
7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline has a molecular weight of 345.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 48932196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).