(8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C24H22ClF3N6 — CID 162556541

About (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162556541) has the molecular formula C24H22ClF3N6 and a molecular weight of 486.93 g/mol. Its IUPAC name is (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 162556541
• Molecular Formula: C24H22ClF3N6
• Molecular Weight: 486.93 g/mol
• Exact Mass: 486.15
• IUPAC Name: (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4C3CC=CC=C3C(F)(F)F)nc2Cl)cn1
• InChI: InChI=1S/C24H22ClF3N6/c1-15-13-33(14-29-15)20-10-8-16(30-22(20)25)9-11-21-31-23-18(6-4-12-34(23)32-21)17-5-2-3-7-19(17)24(26,27)28/h2-3,7-11,13-14,17-18H,4-6,12H2,1H3/b11-9+/t17?,18-/m0/s1
• InChIKey: ZIHUNOPQUMASLS-HILZNKKTSA-N
• XLogP: 5.93
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.93
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 162556541) is (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@H]4C3CC=CC=C3C(F)(F)F)nc2Cl)cn1.

What is the InChIKey of (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ZIHUNOPQUMASLS-HILZNKKTSA-N. The full InChI is InChI=1S/C24H22ClF3N6/c1-15-13-33(14-29-15)20-10-8-16(30-22(20)25)9-11-21-31-23-18(6-4-12-34(23)32-21)17-5-2-3-7-19(17)24(26,27)28/h2-3,7-11,13-14,17-18H,4-6,12H2,1H3/b11-9+/t17?,18-/m0/s1.

What are the key properties of (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

(8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 486.93 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162556541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).