5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

C21H18F2N4O — CID 147172309

IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnc(F)cc2C)c2nncn12
InChIInChI=1S/C21H18F2N4O/c1-13-10-20(23)24-11-17(13)15-8-6-14(27-12-25-26-21(15)27)7-9-16-18(22)4-3-5-19(16)28-2/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyBXYLVHZMVHPVEO-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.17
Rot. Bonds5

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 147172309) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID147172309
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnc(F)cc2C)c2nncn12
InChIInChI=1S/C21H18F2N4O/c1-13-10-20(23)24-11-17(13)15-8-6-14(27-12-25-26-21(15)27)7-9-16-18(22)4-3-5-19(16)28-2/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyBXYLVHZMVHPVEO-UHFFFAOYSA-N
XLogP4.17
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

Mak-683
CID 121412508
E-2212
CID 46854987
Jnj-42491293
CID 71461395
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Methyl substituted pyrazole, 27
CID 23648674
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
GS-458967
CID 58118983

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 147172309) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cnc(F)cc2C)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BXYLVHZMVHPVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-13-10-20(23)24-11-17(13)15-8-6-14(27-12-25-26-21(15)27)7-9-16-18(22)4-3-5-19(16)28-2/h3-6,8,10-12H,7,9H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 380.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 147172309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).