5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine

C16H14F4N4O2 — CID 146655220

IUPAC5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine
SMILESCOCc1nnn2ccc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cc12
InChIInChI=1S/C16H14F4N4O2/c1-9(16(18,19)20)26-15-12(17)5-11(7-21-15)10-3-4-24-14(6-10)13(8-25-2)22-23-24/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyXVZRVHRYJJFBRG-SECBINFHSA-N
MW370.31 g/mol
LogP3.41
Rot. Bonds5

About 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine

5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine (PubChem CID 146655220) has the molecular formula C16H14F4N4O2 and a molecular weight of 370.31 g/mol. Its IUPAC name is 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine
PubChem CID146655220
Molecular FormulaC16H14F4N4O2
Molecular Weight370.31 g/mol
Exact Mass370.11
IUPAC Name5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine
SMILESCOCc1nnn2ccc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cc12
InChIInChI=1S/C16H14F4N4O2/c1-9(16(18,19)20)26-15-12(17)5-11(7-21-15)10-3-4-24-14(6-10)13(8-25-2)22-23-24/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyXVZRVHRYJJFBRG-SECBINFHSA-N
XLogP3.41
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine?
The IUPAC name of 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine (CID 146655220) is 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine?
The canonical SMILES for 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine is COCc1nnn2ccc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cc12.
What is the InChIKey of 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine?
The InChIKey is XVZRVHRYJJFBRG-SECBINFHSA-N. The full InChI is InChI=1S/C16H14F4N4O2/c1-9(16(18,19)20)26-15-12(17)5-11(7-21-15)10-3-4-24-14(6-10)13(8-25-2)22-23-24/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine?
5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine has a molecular weight of 370.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)triazolo[1,5-a]pyridine is sourced from PubChem (CID 146655220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).