8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C21H19FN4O3 — CID 163365942

IUPAC8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCOc1cc(-c2cc(F)c3nnc(Nc4ccccc4)n3c2)cc(OC)c1OC
InChIInChI=1S/C21H19FN4O3/c1-27-17-10-13(11-18(28-2)19(17)29-3)14-9-16(22)20-24-25-21(26(20)12-14)23-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,25)
InChIKeyRGLFRSGYIVXJGX-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.30
Rot. Bonds6

About 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 163365942) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID163365942
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCOc1cc(-c2cc(F)c3nnc(Nc4ccccc4)n3c2)cc(OC)c1OC
InChIInChI=1S/C21H19FN4O3/c1-27-17-10-13(11-18(28-2)19(17)29-3)14-9-16(22)20-24-25-21(26(20)12-14)23-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,25)
InChIKeyRGLFRSGYIVXJGX-UHFFFAOYSA-N
XLogP4.30
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 163365942) is 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is COc1cc(-c2cc(F)c3nnc(Nc4ccccc4)n3c2)cc(OC)c1OC.
What is the InChIKey of 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is RGLFRSGYIVXJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-27-17-10-13(11-18(28-2)19(17)29-3)14-9-16(22)20-24-25-21(26(20)12-14)23-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,25).
What are the key properties of 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 394.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 163365942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).