C120H102F6N36O6 — CID 159746798
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 159746798) has the molecular formula C120H102F6N36O6 and a molecular weight of 2258.37 g/mol. Its IUPAC name is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
| Compound Name | 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one |
|---|---|
| PubChem CID | 159746798 |
| Molecular Formula | C120H102F6N36O6 |
| Molecular Weight | 2258.37 g/mol |
| Exact Mass | 2256.87 |
| IUPAC Name | 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one |
| SMILES | CN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(CF)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(CF)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N.CN1C(=O)C(c2cncc(CF)c2)(c2cccc(-c3cncnc3)c2)N=C1N |
| InChI | InChI=1S/6C20H17FN6O/c1-27-18(28)20(26-19(27)22,17-7-3-6-16(9-21)25-17)15-5-2-4-13(8-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,17-5-13(7-21)8-23-11-17)16-4-2-3-14(6-16)15-9-24-12-25-10-15;1-27-18(28)20(26-19(27)22,17-6-5-13(8-21)9-25-17)16-4-2-3-14(7-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,17-7-13(9-21)5-6-25-17)16-4-2-3-14(8-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-8,10-12H,9H2,1H3,(H2,22,26);2-6,8-12H,7H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26);2*2-8,10-12H,9H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26) |
| InChIKey | NDDGOMBZWPTOBM-UHFFFAOYSA-N |
| XLogP | 12.23 |
| TPSA | 584.16 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2258.37 |
| LogP ≤ 5 | 12.23 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 36 |