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

C21H16F4N4O — CID 148648942

IUPAC5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(F)cc(F)c1CCc1ccc(-c2cccnc2C(F)F)c2nncn12
InChIInChI=1S/C21H16F4N4O/c1-30-18-10-12(22)9-17(23)16(18)7-5-13-4-6-15(21-28-27-11-29(13)21)14-3-2-8-26-19(14)20(24)25/h2-4,6,8-11,20H,5,7H2,1H3
InChIKeyNLNOUEYOFVHJIA-UHFFFAOYSA-N
MW416.38 g/mol
LogP4.80
Rot. Bonds6

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

5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 148648942) has the molecular formula C21H16F4N4O and a molecular weight of 416.38 g/mol. Its IUPAC name is 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID148648942
Molecular FormulaC21H16F4N4O
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(F)cc(F)c1CCc1ccc(-c2cccnc2C(F)F)c2nncn12
InChIInChI=1S/C21H16F4N4O/c1-30-18-10-12(22)9-17(23)16(18)7-5-13-4-6-15(21-28-27-11-29(13)21)14-3-2-8-26-19(14)20(24)25/h2-4,6,8-11,20H,5,7H2,1H3
InChIKeyNLNOUEYOFVHJIA-UHFFFAOYSA-N
XLogP4.80
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 54.80
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-(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
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402938

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 148648942) is 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(F)cc(F)c1CCc1ccc(-c2cccnc2C(F)F)c2nncn12.
What is the InChIKey of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NLNOUEYOFVHJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O/c1-30-18-10-12(22)9-17(23)16(18)7-5-13-4-6-15(21-28-27-11-29(13)21)14-3-2-8-26-19(14)20(24)25/h2-4,6,8-11,20H,5,7H2,1H3.
What are the key properties of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 416.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-[2-(difluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 148648942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).