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

C22H14F3N5O2 — CID 166056977

IUPAC3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)nc4)cn3n2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H14F3N5O2/c1-12-19(27-16-5-3-2-4-15(16)20(12)31)21-28-17-8-6-14(11-30(17)29-21)13-7-9-18(26-10-13)32-22(23,24)25/h2-11H,1H3,(H,27,31)
InChIKeyILIKTIYXXCRKSB-UHFFFAOYSA-N
MW437.38 g/mol
LogP4.51
Rot. Bonds3

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

3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (PubChem CID 166056977) has the molecular formula C22H14F3N5O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
PubChem CID166056977
Molecular FormulaC22H14F3N5O2
Molecular Weight437.38 g/mol
Exact Mass437.11
IUPAC Name3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)nc4)cn3n2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H14F3N5O2/c1-12-19(27-16-5-3-2-4-15(16)20(12)31)21-28-17-8-6-14(11-30(17)29-21)13-7-9-18(26-10-13)32-22(23,24)25/h2-11H,1H3,(H,27,31)
InChIKeyILIKTIYXXCRKSB-UHFFFAOYSA-N
XLogP4.51
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (CID 166056977) is 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one is Cc1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)nc4)cn3n2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The InChIKey is ILIKTIYXXCRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2/c1-12-19(27-16-5-3-2-4-15(16)20(12)31)21-28-17-8-6-14(11-30(17)29-21)13-7-9-18(26-10-13)32-22(23,24)25/h2-11H,1H3,(H,27,31).
What are the key properties of 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one has a molecular weight of 437.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 166056977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).