3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide

C22H19FN8O2 — CID 135315062

IUPAC3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide
SMILESCC1=C(C(N)=O)OC(C)N1c1ccc(F)c(-c2nc3ncc(-c4cnc(C)cn4)cn3n2)c1
InChIInChI=1S/C22H19FN8O2/c1-11-7-26-18(9-25-11)14-8-27-22-28-21(29-30(22)10-14)16-6-15(4-5-17(16)23)31-12(2)19(20(24)32)33-13(31)3/h4-10,13H,1-3H3,(H2,24,32)
InChIKeyHOKQBGJPAZKLKG-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.60
Rot. Bonds4

About 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide

3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide (PubChem CID 135315062) has the molecular formula C22H19FN8O2 and a molecular weight of 446.45 g/mol. Its IUPAC name is 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide
PubChem CID135315062
Molecular FormulaC22H19FN8O2
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Name3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide
SMILESCC1=C(C(N)=O)OC(C)N1c1ccc(F)c(-c2nc3ncc(-c4cnc(C)cn4)cn3n2)c1
InChIInChI=1S/C22H19FN8O2/c1-11-7-26-18(9-25-11)14-8-27-22-28-21(29-30(22)10-14)16-6-15(4-5-17(16)23)31-12(2)19(20(24)32)33-13(31)3/h4-10,13H,1-3H3,(H2,24,32)
InChIKeyHOKQBGJPAZKLKG-UHFFFAOYSA-N
XLogP2.60
TPSA124.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide?
The IUPAC name of 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide (CID 135315062) is 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide is CC1=C(C(N)=O)OC(C)N1c1ccc(F)c(-c2nc3ncc(-c4cnc(C)cn4)cn3n2)c1.
What is the InChIKey of 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide?
The InChIKey is HOKQBGJPAZKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O2/c1-11-7-26-18(9-25-11)14-8-27-22-28-21(29-30(22)10-14)16-6-15(4-5-17(16)23)31-12(2)19(20(24)32)33-13(31)3/h4-10,13H,1-3H3,(H2,24,32).
What are the key properties of 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide?
3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135315062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).