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

C22H21FN4O — CID 147003562

IUPAC8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnc(C)cc2C)c2nncn12
InChIInChI=1S/C22H21FN4O/c1-14-11-15(2)24-12-19(14)17-9-7-16(27-13-25-26-22(17)27)8-10-18-20(23)5-4-6-21(18)28-3/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyASMRCRJJQYULOZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.34
Rot. Bonds5

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

8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 147003562) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID147003562
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnc(C)cc2C)c2nncn12
InChIInChI=1S/C22H21FN4O/c1-14-11-15(2)24-12-19(14)17-9-7-16(27-13-25-26-22(17)27)8-10-18-20(23)5-4-6-21(18)28-3/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyASMRCRJJQYULOZ-UHFFFAOYSA-N
XLogP4.34
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[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
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
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

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 147003562) is 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cnc(C)cc2C)c2nncn12.
What is the InChIKey of 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ASMRCRJJQYULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14-11-15(2)24-12-19(14)17-9-7-16(27-13-25-26-22(17)27)8-10-18-20(23)5-4-6-21(18)28-3/h4-7,9,11-13H,8,10H2,1-3H3.
What are the key properties of 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 376.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 147003562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).