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

C19H14FN5O3 — CID 147056808

IUPAC2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone
SMILESCOc1cncc(Oc2cc(C(=O)Cc3ccc(F)cn3)c3nncn3c2)c1
InChIInChI=1S/C19H14FN5O3/c1-27-14-5-15(9-21-8-14)28-16-6-17(19-24-23-11-25(19)10-16)18(26)4-13-3-2-12(20)7-22-13/h2-3,5-11H,4H2,1H3
InChIKeyBCJSUUNBIIVSBU-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.88
Rot. Bonds6

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

2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone (PubChem CID 147056808) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone
PubChem CID147056808
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone
SMILESCOc1cncc(Oc2cc(C(=O)Cc3ccc(F)cn3)c3nncn3c2)c1
InChIInChI=1S/C19H14FN5O3/c1-27-14-5-15(9-21-8-14)28-16-6-17(19-24-23-11-25(19)10-16)18(26)4-13-3-2-12(20)7-22-13/h2-3,5-11H,4H2,1H3
InChIKeyBCJSUUNBIIVSBU-UHFFFAOYSA-N
XLogP2.88
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

Amg-337
CID 44181686
Triazolopyridine
CID 5289514
Triazolopyridine oxazole inhibitor 55
CID 23647339
Triazolopyridine oxazole inhibitor 56
CID 23647340
Triazolopyridine oxazole inhibitor 41
CID 9944440
Triazolopyridine oxazole inhibitor 54
CID 9968604
Triazolopyridine oxazole inhibitor 42
CID 20626558
Triazolopyridine oxazole inhibitor 5
CID 23433744
N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 91799365
N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118096899
N-(5-fluoro-2-pyridinyl)-6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118096900
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44179999

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone (CID 147056808) is 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone is COc1cncc(Oc2cc(C(=O)Cc3ccc(F)cn3)c3nncn3c2)c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
The InChIKey is BCJSUUNBIIVSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c1-27-14-5-15(9-21-8-14)28-16-6-17(19-24-23-11-25(19)10-16)18(26)4-13-3-2-12(20)7-22-13/h2-3,5-11H,4H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone has a molecular weight of 379.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone is sourced from PubChem (CID 147056808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).