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N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide

C22H23F2N9O2 — CID 150111854

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(CNC(=O)c2noc(C(C)(C)CF)n2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C22H23F2N9O2/c1-12-13(9-25-19(34)18-29-20(35-32-18)22(2,3)10-23)5-6-14(16(12)24)17-26-11-27-21(30-17)28-15-7-8-33(4)31-15/h5-8,11H,9-10H2,1-4H3,(H,25,34)(H,26,27,28,30,31)
InChIKeyDXKPUPPRIPFESJ-UHFFFAOYSA-N
MW483.48 g/mol
LogP3.02
Rot. Bonds8

About N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide

N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 150111854) has the molecular formula C22H23F2N9O2 and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID150111854
Molecular FormulaC22H23F2N9O2
Molecular Weight483.48 g/mol
Exact Mass483.19
IUPAC NameN-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(CNC(=O)c2noc(C(C)(C)CF)n2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C22H23F2N9O2/c1-12-13(9-25-19(34)18-29-20(35-32-18)22(2,3)10-23)5-6-14(16(12)24)17-26-11-27-21(30-17)28-15-7-8-33(4)31-15/h5-8,11H,9-10H2,1-4H3,(H,25,34)(H,26,27,28,30,31)
InChIKeyDXKPUPPRIPFESJ-UHFFFAOYSA-N
XLogP3.02
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 150111854) is N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide is Cc1c(CNC(=O)c2noc(C(C)(C)CF)n2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F.
What is the InChIKey of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DXKPUPPRIPFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N9O2/c1-12-13(9-25-19(34)18-29-20(35-32-18)22(2,3)10-23)5-6-14(16(12)24)17-26-11-27-21(30-17)28-15-7-8-33(4)31-15/h5-8,11H,9-10H2,1-4H3,(H,25,34)(H,26,27,28,30,31).
What are the key properties of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 150111854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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