N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C17H15FN6O — CID 138742545

IUPACN-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-n2ccnc2)c2nncn12
InChIInChI=1S/C17H15FN6O/c1-25-15-4-2-3-13(18)12(15)9-20-16-6-5-14(23-8-7-19-10-23)17-22-21-11-24(16)17/h2-8,10-11,20H,9H2,1H3
InChIKeyWXSUWBWFZHUFHC-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.67
Rot. Bonds5

About N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742545) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID138742545
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-n2ccnc2)c2nncn12
InChIInChI=1S/C17H15FN6O/c1-25-15-4-2-3-13(18)12(15)9-20-16-6-5-14(23-8-7-19-10-23)17-22-21-11-24(16)17/h2-8,10-11,20H,9H2,1H3
InChIKeyWXSUWBWFZHUFHC-UHFFFAOYSA-N
XLogP2.67
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine with MolForge

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Related Compounds

8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742137
5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol
CID 138742131
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742503
5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-6-methylpyridine-2-carbonitrile
CID 138741971
8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138741964
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146514482
2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol
CID 138742119
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742636
1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one
CID 138742612
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 157105764
8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742207
8-[4-(difluoromethyl)-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 146998263

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742545) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-n2ccnc2)c2nncn12.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is WXSUWBWFZHUFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-25-15-4-2-3-13(18)12(15)9-20-16-6-5-14(23-8-7-19-10-23)17-22-21-11-24(16)17/h2-8,10-11,20H,9H2,1H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 338.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).