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

C23H14F4N4O2 — CID 166057011

IUPAC6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C23H14F4N4O2/c1-12-20(28-18-8-5-15(24)10-17(18)21(12)32)22-29-19-9-4-14(11-31(19)30-22)13-2-6-16(7-3-13)33-23(25,26)27/h2-11H,1H3,(H,28,32)
InChIKeyPPQYKUNESCYCRX-UHFFFAOYSA-N
MW454.38 g/mol
LogP5.25
Rot. Bonds3

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

6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (PubChem CID 166057011) has the molecular formula C23H14F4N4O2 and a molecular weight of 454.38 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
PubChem CID166057011
Molecular FormulaC23H14F4N4O2
Molecular Weight454.38 g/mol
Exact Mass454.11
IUPAC Name6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C23H14F4N4O2/c1-12-20(28-18-8-5-15(24)10-17(18)21(12)32)22-29-19-9-4-14(11-31(19)30-22)13-2-6-16(7-3-13)33-23(25,26)27/h2-11H,1H3,(H,28,32)
InChIKeyPPQYKUNESCYCRX-UHFFFAOYSA-N
XLogP5.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-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-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (CID 166057011) is 6-fluoro-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-fluoro-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-fluoro-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]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The InChIKey is PPQYKUNESCYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N4O2/c1-12-20(28-18-8-5-15(24)10-17(18)21(12)32)22-29-19-9-4-14(11-31(19)30-22)13-2-6-16(7-3-13)33-23(25,26)27/h2-11H,1H3,(H,28,32).
What are the key properties of 6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
6-fluoro-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 454.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-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 166057011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).