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

C19H13F2N5O2 — CID 147084838

IUPAC2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone
SMILESCc1nnc2c(C(=O)Cc3cccc(F)n3)cc(Oc3cncc(F)c3)cn12
InChIInChI=1S/C19H13F2N5O2/c1-11-24-25-19-16(17(27)6-13-3-2-4-18(21)23-13)7-15(10-26(11)19)28-14-5-12(20)8-22-9-14/h2-5,7-10H,6H2,1H3
InChIKeyBHQBDLXIFWBNHX-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.32
Rot. Bonds5

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

2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone (PubChem CID 147084838) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone
PubChem CID147084838
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone
SMILESCc1nnc2c(C(=O)Cc3cccc(F)n3)cc(Oc3cncc(F)c3)cn12
InChIInChI=1S/C19H13F2N5O2/c1-11-24-25-19-16(17(27)6-13-3-2-4-18(21)23-13)7-15(10-26(11)19)28-14-5-12(20)8-22-9-14/h2-5,7-10H,6H2,1H3
InChIKeyBHQBDLXIFWBNHX-UHFFFAOYSA-N
XLogP3.32
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amg-337
CID 44181686
1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
CID 9949821
Triazolopyridine oxazole inhibitor 61
CID 9975266
Triazolopyridine
CID 5289514
Triazolopyridine oxazole inhibitor 55
CID 23647339
Triazolopyridine oxazole inhibitor 56
CID 23647340
Triazolopyridine oxazole inhibitor 71
CID 9906682
Triazolopyridine oxazole inhibitor 41
CID 9944440
Triazolopyridine oxazole inhibitor 31
CID 9965793
Triazolopyridine oxazole inhibitor 54
CID 9968604
1,2,4-Triazolo[4,3-A]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-
CID 9999342
Triazolopyridine oxazole inhibitor 22
CID 10043924

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone (CID 147084838) is 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone is Cc1nnc2c(C(=O)Cc3cccc(F)n3)cc(Oc3cncc(F)c3)cn12.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
The InChIKey is BHQBDLXIFWBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c1-11-24-25-19-16(17(27)6-13-3-2-4-18(21)23-13)7-15(10-26(11)19)28-14-5-12(20)8-22-9-14/h2-5,7-10H,6H2,1H3.
What are the key properties of 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone?
2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone has a molecular weight of 381.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone is sourced from PubChem (CID 147084838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).