1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone

C19H14FN5O2 — CID 147300052

IUPAC1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
InChIInChI=1S/C19H14FN5O2/c1-12-2-3-14(22-7-12)5-18(26)17-6-16(10-25-19(17)23-11-24-25)27-15-4-13(20)8-21-9-15/h2-4,6-11H,5H2,1H3
InChIKeyCVXAKJSGFQJPGB-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.18
Rot. Bonds5

About 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone

1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 147300052) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID147300052
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
InChIInChI=1S/C19H14FN5O2/c1-12-2-3-14(22-7-12)5-18(26)17-6-16(10-25-19(17)23-11-24-25)27-15-4-13(20)8-21-9-15/h2-4,6-11H,5H2,1H3
InChIKeyCVXAKJSGFQJPGB-UHFFFAOYSA-N
XLogP3.18
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone (CID 147300052) is 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1.
What is the InChIKey of 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is CVXAKJSGFQJPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c1-12-2-3-14(22-7-12)5-18(26)17-6-16(10-25-19(17)23-11-24-25)27-15-4-13(20)8-21-9-15/h2-4,6-11H,5H2,1H3.
What are the key properties of 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone?
1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 363.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 147300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).