1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one

C23H22F2N8O2 — CID 162166250

About 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one

1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one (PubChem CID 162166250) has the molecular formula C23H22F2N8O2 and a molecular weight of 480.48 g/mol. Its IUPAC name is 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
• PubChem CID: 162166250
• Molecular Formula: C23H22F2N8O2
• Molecular Weight: 480.48 g/mol
• Exact Mass: 480.18
• IUPAC Name: 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
• SMILES: Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)c(F)cc1CCC(=O)c1nc(C2(CF)CC2)no1
• InChI: InChI=1S/C23H22F2N8O2/c1-13-7-16(19-26-12-27-22(30-19)29-15-9-28-33(2)10-15)17(25)8-14(13)3-4-18(34)20-31-21(32-35-20)23(11-24)5-6-23/h7-10,12H,3-6,11H2,1-2H3,(H,26,27,29,30)
• InChIKey: JWWKPCXXHWIATI-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 124.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.48
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?

The IUPAC name of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one (CID 162166250) is 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?

The canonical SMILES for 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one is Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)c(F)cc1CCC(=O)c1nc(C2(CF)CC2)no1.

What is the InChIKey of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?

The InChIKey is JWWKPCXXHWIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O2/c1-13-7-16(19-26-12-27-22(30-19)29-15-9-28-33(2)10-15)17(25)8-14(13)3-4-18(34)20-31-21(32-35-20)23(11-24)5-6-23/h7-10,12H,3-6,11H2,1-2H3,(H,26,27,29,30).

What are the key properties of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?

1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one has a molecular weight of 480.48 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 162166250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).