8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H23FN6O — CID 53339454

About 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53339454) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 53339454
• Molecular Formula: C25H23FN6O
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.19
• IUPAC Name: 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: COc1cc(Nc2nc3c(-c4ccc(F)cc4C)cc(C)cn3n2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H23FN6O/c1-15-9-21(20-7-5-18(26)10-16(20)2)24-29-25(30-32(24)12-15)28-19-6-8-22(23(11-19)33-4)31-13-17(3)27-14-31/h5-14H,1-4H3,(H,28,30)
• InChIKey: FAJZDAXUHLOBRD-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 69.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53339454) is 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3c(-c4ccc(F)cc4C)cc(C)cn3n2)ccc1-n1cnc(C)c1.

What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is FAJZDAXUHLOBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-15-9-21(20-7-5-18(26)10-16(20)2)24-29-25(30-32(24)12-15)28-19-6-8-22(23(11-19)33-4)31-13-17(3)27-14-31/h5-14H,1-4H3,(H,28,30).

What are the key properties of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 442.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53339454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).