2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine

C20H14F3N5O2 — CID 154357156

IUPAC2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CCOc3ncc4nccnc4n3)cc2)c1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)14-5-7-25-17(11-14)30-15-3-1-13(2-4-15)6-10-29-19-27-12-16-18(28-19)26-9-8-24-16/h1-5,7-9,11-12H,6,10H2
InChIKeyCNVCIFTXHWOLIK-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.25
Rot. Bonds6

About 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine

2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine (PubChem CID 154357156) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine.

Molecular Properties

Compound Name2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine
PubChem CID154357156
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC Name2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CCOc3ncc4nccnc4n3)cc2)c1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)14-5-7-25-17(11-14)30-15-3-1-13(2-4-15)6-10-29-19-27-12-16-18(28-19)26-9-8-24-16/h1-5,7-9,11-12H,6,10H2
InChIKeyCNVCIFTXHWOLIK-UHFFFAOYSA-N
XLogP4.25
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine?
The IUPAC name of 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine (CID 154357156) is 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine.
What is the SMILES notation for 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine?
The canonical SMILES for 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine is FC(F)(F)c1ccnc(Oc2ccc(CCOc3ncc4nccnc4n3)cc2)c1.
What is the InChIKey of 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine?
The InChIKey is CNVCIFTXHWOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)14-5-7-25-17(11-14)30-15-3-1-13(2-4-15)6-10-29-19-27-12-16-18(28-19)26-9-8-24-16/h1-5,7-9,11-12H,6,10H2.
What are the key properties of 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine?
2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine has a molecular weight of 413.36 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine is sourced from PubChem (CID 154357156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).