3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H17F3N4O2 — CID 55503404

IUPAC3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NC(C)c3ccccn3)c12
InChIInChI=1S/C22H17F3N4O2/c1-12(17-9-5-6-10-26-17)27-20(30)15-11-18(28-21-19(15)13(2)29-31-21)14-7-3-4-8-16(14)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyGPHAXSOOUZJKFZ-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.10
Rot. Bonds4

About 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55503404) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55503404
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NC(C)c3ccccn3)c12
InChIInChI=1S/C22H17F3N4O2/c1-12(17-9-5-6-10-26-17)27-20(30)15-11-18(28-21-19(15)13(2)29-31-21)14-7-3-4-8-16(14)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyGPHAXSOOUZJKFZ-UHFFFAOYSA-N
XLogP5.10
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33045364
3-methyl-N-pyridin-3-yl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36716366
N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112818170
N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55671870
N-(5-acetamido-2-chlorophenyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55915451
N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112810042
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118381
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485176
6-(4-fluorophenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25491415
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18145099
6-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55503404) is 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NC(C)c3ccccn3)c12.
What is the InChIKey of 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GPHAXSOOUZJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-12(17-9-5-6-10-26-17)27-20(30)15-11-18(28-21-19(15)13(2)29-31-21)14-7-3-4-8-16(14)22(23,24)25/h3-12H,1-2H3,(H,27,30).
What are the key properties of 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55503404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).