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

C20H15F4N5O — CID 138742503

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

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742503) has the molecular formula C20H15F4N5O and a molecular weight of 417.37 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

• Compound Name: N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• PubChem CID: 138742503
• Molecular Formula: C20H15F4N5O
• Molecular Weight: 417.37 g/mol
• Exact Mass: 417.12
• IUPAC Name: N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• SMILES: COc1cccc(F)c1CNc1ccc(-c2cccnc2C(F)(F)F)c2nncn12
• InChI: InChI=1S/C20H15F4N5O/c1-30-16-6-2-5-15(21)14(16)10-26-17-8-7-13(19-28-27-11-29(17)19)12-4-3-9-25-18(12)20(22,23)24/h2-9,11,26H,10H2,1H3
• InChIKey: HOVNVKZDIPNYOD-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 64.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.37
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742503) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-c2cccnc2C(F)(F)F)c2nncn12.

What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The InChIKey is HOVNVKZDIPNYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O/c1-30-16-6-2-5-15(21)14(16)10-26-17-8-7-13(19-28-27-11-29(17)19)12-4-3-9-25-18(12)20(22,23)24/h2-9,11,26H,10H2,1H3.

What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 417.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).