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

C22H19F3N4O — CID 153054757

IUPAC8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cc(C(F)F)ncc2C)c2nncn12
InChIInChI=1S/C22H19F3N4O/c1-13-11-26-19(21(24)25)10-17(13)15-8-6-14(29-12-27-28-22(15)29)7-9-16-18(23)4-3-5-20(16)30-2/h3-6,8,10-12,21H,7,9H2,1-2H3
InChIKeyVIGLXZNGKWEGGY-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.97
Rot. Bonds6

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

8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 153054757) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID153054757
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cc(C(F)F)ncc2C)c2nncn12
InChIInChI=1S/C22H19F3N4O/c1-13-11-26-19(21(24)25)10-17(13)15-8-6-14(29-12-27-28-22(15)29)7-9-16-18(23)4-3-5-20(16)30-2/h3-6,8,10-12,21H,7,9H2,1-2H3
InChIKeyVIGLXZNGKWEGGY-UHFFFAOYSA-N
XLogP4.97
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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. 69
CID 6539411
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 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 153054757) is 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cc(C(F)F)ncc2C)c2nncn12.
What is the InChIKey of 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VIGLXZNGKWEGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-13-11-26-19(21(24)25)10-17(13)15-8-6-14(29-12-27-28-22(15)29)7-9-16-18(23)4-3-5-20(16)30-2/h3-6,8,10-12,21H,7,9H2,1-2H3.
What are the key properties of 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 412.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(difluoromethyl)-5-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 153054757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).