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

C21H19FN8O2 — CID 135315100

IUPAC3-[4-fluoro-3-[6-(1-methylpyrazol-3-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(-c4ccn(C)n4)cn3n2)c1
InChIInChI=1S/C21H19FN8O2/c1-11-18(19(23)31)32-12(2)30(11)14-4-5-16(22)15(8-14)20-25-21-24-9-13(10-29(21)27-20)17-6-7-28(3)26-17/h4-10,12H,1-3H3,(H2,23,31)
InChIKeyRIHWGGBPVKKFHX-UHFFFAOYSA-N
MW434.44 g/mol
LogP2.23
Rot. Bonds4

About 3-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide (PubChem CID 135315100) has the molecular formula C21H19FN8O2 and a molecular weight of 434.44 g/mol. Its IUPAC name is 3-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide
PubChem CID135315100
Molecular FormulaC21H19FN8O2
Molecular Weight434.44 g/mol
Exact Mass434.16
IUPAC Name3-[4-fluoro-3-[6-(1-methylpyrazol-3-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(-c4ccn(C)n4)cn3n2)c1
InChIInChI=1S/C21H19FN8O2/c1-11-18(19(23)31)32-12(2)30(11)14-4-5-16(22)15(8-14)20-25-21-24-9-13(10-29(21)27-20)17-6-7-28(3)26-17/h4-10,12H,1-3H3,(H2,23,31)
InChIKeyRIHWGGBPVKKFHX-UHFFFAOYSA-N
XLogP2.23
TPSA116.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide (CID 135315100) is 3-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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(-c4ccn(C)n4)cn3n2)c1.
What is the InChIKey of 3-[4-fluoro-3-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-2H-1,3-oxazole-5-carboxamide?
The InChIKey is RIHWGGBPVKKFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O2/c1-11-18(19(23)31)32-12(2)30(11)14-4-5-16(22)15(8-14)20-25-21-24-9-13(10-29(21)27-20)17-6-7-28(3)26-17/h4-10,12H,1-3H3,(H2,23,31).
What are the key properties of 3-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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 434.44 g/mol, XLogP of 2.23, 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-(1-methylpyrazol-3-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 135315100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).