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

C18H11ClFN5O2 — CID 147454939

IUPAC1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(Oc2cncc(Cl)c2)cn2cnnc12
InChIInChI=1S/C18H11ClFN5O2/c19-11-4-13(8-21-7-11)27-14-6-15(18-24-22-10-25(18)9-14)16(26)5-12-2-1-3-17(20)23-12/h1-4,6-10H,5H2
InChIKeyDYUGGUQYWSXUJV-UHFFFAOYSA-N
MW383.77 g/mol
LogP3.53
Rot. Bonds5

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

1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone (PubChem CID 147454939) has the molecular formula C18H11ClFN5O2 and a molecular weight of 383.77 g/mol. Its IUPAC name is 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone
PubChem CID147454939
Molecular FormulaC18H11ClFN5O2
Molecular Weight383.77 g/mol
Exact Mass383.06
IUPAC Name1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(Oc2cncc(Cl)c2)cn2cnnc12
InChIInChI=1S/C18H11ClFN5O2/c19-11-4-13(8-21-7-11)27-14-6-15(18-24-22-10-25(18)9-14)16(26)5-12-2-1-3-17(20)23-12/h1-4,6-10H,5H2
InChIKeyDYUGGUQYWSXUJV-UHFFFAOYSA-N
XLogP3.53
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone
CID 159313200
N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118104120
2-(6-ethyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone
CID 158744498
2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318837
2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
3-chloro-5-(2,6-difluorophenoxy)pyridine
CID 141409360
6-[(5-chloro-3-pyridinyl)oxy]-N-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 118104091
N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103947
2-pyridin-2-yl-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone
CID 157345823
N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118104064
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone (CID 147454939) is 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone is O=C(Cc1cccc(F)n1)c1cc(Oc2cncc(Cl)c2)cn2cnnc12.
What is the InChIKey of 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone?
The InChIKey is DYUGGUQYWSXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O2/c19-11-4-13(8-21-7-11)27-14-6-15(18-24-22-10-25(18)9-14)16(26)5-12-2-1-3-17(20)23-12/h1-4,6-10H,5H2.
What are the key properties of 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone?
1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone has a molecular weight of 383.77 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-chloro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 147454939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).