8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C28H23ClF3N7O — CID 66778404

About 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66778404) has the molecular formula C28H23ClF3N7O and a molecular weight of 565.99 g/mol. Its IUPAC name is 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 66778404
• Molecular Formula: C28H23ClF3N7O
• Molecular Weight: 565.99 g/mol
• Exact Mass: 565.16
• IUPAC Name: 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(-c2nc3n(n2)CCCC3c2cc(-c3ccc(C(F)(F)F)cn3)ccc2Cl)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C28H23ClF3N7O/c1-16-14-38(15-34-16)24-10-9-23(35-27(24)40-2)25-36-26-19(4-3-11-39(26)37-25)20-12-17(5-7-21(20)29)22-8-6-18(13-33-22)28(30,31)32/h5-10,12-15,19H,3-4,11H2,1-2H3
• InChIKey: LKHBGRBLUJNKBK-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 83.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.99
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66778404) is 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CCCC3c2cc(-c3ccc(C(F)(F)F)cn3)ccc2Cl)ccc1-n1cnc(C)c1.

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

The InChIKey is LKHBGRBLUJNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N7O/c1-16-14-38(15-34-16)24-10-9-23(35-27(24)40-2)25-36-26-19(4-3-11-39(26)37-25)20-12-17(5-7-21(20)29)22-8-6-18(13-33-22)28(30,31)32/h5-10,12-15,19H,3-4,11H2,1-2H3.

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

8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 565.99 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66778404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).