1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one

C119H80F12N26O12 — CID 167700718

About 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 167700718) has the molecular formula C119H80F12N26O12 and a molecular weight of 2294.09 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
• PubChem CID: 167700718
• Molecular Formula: C119H80F12N26O12
• Molecular Weight: 2294.09 g/mol
• Exact Mass: 2292.63
• IUPAC Name: 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
• SMILES: Cc1cccc(-n2cccc(C(=O)Cc3ccc(Nc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.Cc1cccc(-n2cccc(C(=O)Cc3ccc(Oc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.O=C(Cc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1ccccc1F.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O
• InChI: InChI=1S/C25H16F4N6O2.C25H15F4N5O3.C25H19FN6O2.C25H18FN5O3.C19H12F2N4O2/c26-18-10-14(3-8-19(18)34-23-21-22(31-12-30-21)32-13-33-23)11-20(36)17-2-1-9-35(24(17)37)16-6-4-15(5-7-16)25(27,28)29;26-18-10-14(3-8-20(18)37-23-21-22(31-12-30-21)32-13-33-23)11-19(35)17-2-1-9-34(24(17)36)16-6-4-15(5-7-16)25(27,28)29;1-15-4-2-5-17(10-15)32-9-3-6-18(25(32)34)21(33)12-16-7-8-20(19(26)11-16)31-24-22-23(28-13-27-22)29-14-30-24;1-15-4-2-5-17(10-15)31-9-3-6-18(25(31)33)20(32)12-16-7-8-21(19(26)11-16)34-24-22-23(28-13-27-22)29-14-30-24;20-13-4-2-1-3-12(13)15(26)8-11-5-6-16(14(21)7-11)27-19-17-18(23-9-22-17)24-10-25-19/h1-10,12-13H,11H2,(H2,30,31,32,33,34);1-10,12-13H,11H2,(H,30,31,32,33);2-11,13-14H,12H2,1H3,(H2,27,28,29,30,31);2-11,13-14H,12H2,1H3,(H,27,28,29,30);1-7,9-10H,8H2,(H,22,23,24,25)
• InChIKey: YIPMBQWOKYHKGH-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 497.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.09
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?

The IUPAC name of 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 167700718) is 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one.

What is the SMILES notation for 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?

The canonical SMILES for 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cc1cccc(-n2cccc(C(=O)Cc3ccc(Nc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.Cc1cccc(-n2cccc(C(=O)Cc3ccc(Oc4ncnc5nc[nH]c45)c(F)c3)c2=O)c1.O=C(Cc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1ccccc1F.O=C(Cc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O.

What is the InChIKey of 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?

The InChIKey is YIPMBQWOKYHKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N6O2.C25H15F4N5O3.C25H19FN6O2.C25H18FN5O3.C19H12F2N4O2/c26-18-10-14(3-8-19(18)34-23-21-22(31-12-30-21)32-13-33-23)11-20(36)17-2-1-9-35(24(17)37)16-6-4-15(5-7-16)25(27,28)29;26-18-10-14(3-8-20(18)37-23-21-22(31-12-30-21)32-13-33-23)11-19(35)17-2-1-9-34(24(17)36)16-6-4-15(5-7-16)25(27,28)29;1-15-4-2-5-17(10-15)32-9-3-6-18(25(32)34)21(33)12-16-7-8-20(19(26)11-16)31-24-22-23(28-13-27-22)29-14-30-24;1-15-4-2-5-17(10-15)31-9-3-6-18(25(31)33)20(32)12-16-7-8-21(19(26)11-16)34-24-22-23(28-13-27-22)29-14-30-24;20-13-4-2-1-3-12(13)15(26)8-11-5-6-16(14(21)7-11)27-19-17-18(23-9-22-17)24-10-25-19/h1-10,12-13H,11H2,(H2,30,31,32,33,34);1-10,12-13H,11H2,(H,30,31,32,33);2-11,13-14H,12H2,1H3,(H2,27,28,29,30,31);2-11,13-14H,12H2,1H3,(H,27,28,29,30);1-7,9-10H,8H2,(H,22,23,24,25).

What are the key properties of 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?

1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 2294.09 g/mol, XLogP of 21.85, 29 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 167700718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).