6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one

C23H13F5N4O2 — CID 166056953

About 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one

6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (PubChem CID 166056953) has the molecular formula C23H13F5N4O2 and a molecular weight of 472.37 g/mol. Its IUPAC name is 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
• PubChem CID: 166056953
• Molecular Formula: C23H13F5N4O2
• Molecular Weight: 472.37 g/mol
• Exact Mass: 472.10
• IUPAC Name: 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
• SMILES: Cc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2c(F)cc(F)cc2c1=O
• InChI: InChI=1S/C23H13F5N4O2/c1-11-19(30-20-16(21(11)33)8-14(24)9-17(20)25)22-29-18-7-4-13(10-32(18)31-22)12-2-5-15(6-3-12)34-23(26,27)28/h2-10H,1H3,(H,30,33)
• InChIKey: KPOLDLHETDLVQZ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.37
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?

The IUPAC name of 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (CID 166056953) is 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.

What is the SMILES notation for 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?

The canonical SMILES for 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one is Cc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2c(F)cc(F)cc2c1=O.

What is the InChIKey of 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?

The InChIKey is KPOLDLHETDLVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N4O2/c1-11-19(30-20-16(21(11)33)8-14(24)9-17(20)25)22-29-18-7-4-13(10-32(18)31-22)12-2-5-15(6-3-12)34-23(26,27)28/h2-10H,1H3,(H,30,33).

What are the key properties of 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?

6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one has a molecular weight of 472.37 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 166056953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).