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

C23H22F2N8O2 — CID 158785960

IUPAC1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
SMILESCc1c(CCC(=O)c2nc(C3(CF)CC3)no2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C23H22F2N8O2/c1-13-14(4-6-16(34)20-30-21(32-35-20)23(11-24)8-9-23)3-5-15(18(13)25)19-26-12-27-22(29-19)28-17-7-10-33(2)31-17/h3,5,7,10,12H,4,6,8-9,11H2,1-2H3,(H,26,27,28,29,31)
InChIKeyIRRLZJAUFJEDGJ-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.66
Rot. Bonds9

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

1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one (PubChem CID 158785960) 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-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
PubChem CID158785960
Molecular FormulaC23H22F2N8O2
Molecular Weight480.48 g/mol
Exact Mass480.18
IUPAC Name1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
SMILESCc1c(CCC(=O)c2nc(C3(CF)CC3)no2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C23H22F2N8O2/c1-13-14(4-6-16(34)20-30-21(32-35-20)23(11-24)8-9-23)3-5-15(18(13)25)19-26-12-27-22(29-19)28-17-7-10-33(2)31-17/h3,5,7,10,12H,4,6,8-9,11H2,1-2H3,(H,26,27,28,29,31)
InChIKeyIRRLZJAUFJEDGJ-UHFFFAOYSA-N
XLogP3.66
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-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-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one (CID 158785960) is 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-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-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-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-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one is Cc1c(CCC(=O)c2nc(C3(CF)CC3)no2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F.
What is the InChIKey of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?
The InChIKey is IRRLZJAUFJEDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O2/c1-13-14(4-6-16(34)20-30-21(32-35-20)23(11-24)8-9-23)3-5-15(18(13)25)19-26-12-27-22(29-19)28-17-7-10-33(2)31-17/h3,5,7,10,12H,4,6,8-9,11H2,1-2H3,(H,26,27,28,29,31).
What are the key properties of 1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?
1-[3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-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-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 158785960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).