5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C24H24FN9O2 — CID 167327327

IUPAC5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnc3cc(-c4cnn(C)c4)nn23)c1F
InChIInChI=1S/C24H24FN9O2/c1-13-14(9-26-22(35)20-30-23(36-32-20)24(2,3)4)6-7-16(19(13)25)21-28-12-27-18-8-17(31-34(18)21)15-10-29-33(5)11-15/h6-8,10-12H,9H2,1-5H3,(H,26,35)
InChIKeyVOAJPYWRNMCSHJ-UHFFFAOYSA-N
MW489.52 g/mol
LogP3.25
Rot. Bonds5

About 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 167327327) has the molecular formula C24H24FN9O2 and a molecular weight of 489.52 g/mol. Its IUPAC name is 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID167327327
Molecular FormulaC24H24FN9O2
Molecular Weight489.52 g/mol
Exact Mass489.20
IUPAC Name5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnc3cc(-c4cnn(C)c4)nn23)c1F
InChIInChI=1S/C24H24FN9O2/c1-13-14(9-26-22(35)20-30-23(36-32-20)24(2,3)4)6-7-16(19(13)25)21-28-12-27-18-8-17(31-34(18)21)15-10-29-33(5)11-15/h6-8,10-12H,9H2,1-5H3,(H,26,35)
InChIKeyVOAJPYWRNMCSHJ-UHFFFAOYSA-N
XLogP3.25
TPSA128.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 167327327) is 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnc3cc(-c4cnn(C)c4)nn23)c1F.
What is the InChIKey of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VOAJPYWRNMCSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O2/c1-13-14(9-26-22(35)20-30-23(36-32-20)24(2,3)4)6-7-16(19(13)25)21-28-12-27-18-8-17(31-34(18)21)15-10-29-33(5)11-15/h6-8,10-12H,9H2,1-5H3,(H,26,35).
What are the key properties of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 167327327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).