(8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C25H25FN6 — CID 58105193

About (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58105193) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 58105193
• Molecular Formula: C25H25FN6
• Molecular Weight: 428.52 g/mol
• Exact Mass: 428.21
• IUPAC Name: (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4c3ccc(F)c(C)c3)nc2C)cn1
• InChI: InChI=1S/C25H25FN6/c1-16-13-19(6-9-22(16)26)21-5-4-12-32-25(21)29-24(30-32)11-8-20-7-10-23(18(3)28-20)31-14-17(2)27-15-31/h6-11,13-15,21H,4-5,12H2,1-3H3/b11-8+/t21-/m0/s1
• InChIKey: PAXPYBQFDAYURV-MAIVGLDJSA-N
• XLogP: 5.02
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.52
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 58105193) is (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4c3ccc(F)c(C)c3)nc2C)cn1.

What is the InChIKey of (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is PAXPYBQFDAYURV-MAIVGLDJSA-N. The full InChI is InChI=1S/C25H25FN6/c1-16-13-19(6-9-22(16)26)21-5-4-12-32-25(21)29-24(30-32)11-8-20-7-10-23(18(3)28-20)31-14-17(2)27-15-31/h6-11,13-15,21H,4-5,12H2,1-3H3/b11-8+/t21-/m0/s1.

What are the key properties of (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

(8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 428.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-(4-fluoro-3-methylphenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58105193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).