C123H117F5N30O5 — CID 161417905
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1-cyclopropylimidazol-2-yl)phenyl]pyridine-2-carboxamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]benzamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide (PubChem CID 161417905) has the molecular formula C123H117F5N30O5 and a molecular weight of 2190.48 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1-cyclopropylimidazol-2-yl)phenyl]pyridine-2-carboxamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]benzamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide.
| Compound Name | 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1-cyclopropylimidazol-2-yl)phenyl]pyridine-2-carboxamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]benzamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 161417905 |
| Molecular Formula | C123H117F5N30O5 |
| Molecular Weight | 2190.48 g/mol |
| Exact Mass | 2188.97 |
| IUPAC Name | 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1-cyclopropylimidazol-2-yl)phenyl]pyridine-2-carboxamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]benzamide;3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide |
| SMILES | CC(C)n1ccnc1-c1cccc(NC(=O)c2cccc(-n3cnc(C4CC4)c3)c2)n1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nccn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.Cc1ccc(C(=O)Nc2cccc(-c3nccn3C3CC3)n2)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc(-c2nccn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1 |
| InChI | InChI=1S/C25H22F4N6O.C25H25FN6O.C25H24N6O.C24H22N6O.C24H24N6O/c1-14-10-18(26)17(11-21(14)34-12-20(31-13-34)16-6-7-16)24(36)33-22-5-3-4-19(32-22)23-30-8-9-35(23)15(2)25(27,28)29;1-15(2)32-10-9-27-24(32)20-5-4-6-23(29-20)30-25(33)18-12-22(16(3)11-19(18)26)31-13-21(28-14-31)17-7-8-17;1-16-5-6-18(13-22(16)30-14-21(27-15-30)17-7-8-17)25(32)29-23-4-2-3-20(28-23)24-26-11-12-31(24)19-9-10-19;31-24(21-13-20(8-9-25-21)29-14-22(27-15-29)16-4-5-16)28-18-3-1-2-17(12-18)23-26-10-11-30(23)19-6-7-19;1-16(2)30-12-11-25-23(30)20-7-4-8-22(27-20)28-24(31)18-5-3-6-19(13-18)29-14-21(26-15-29)17-9-10-17/h3-5,8-13,15-16H,6-7H2,1-2H3,(H,32,33,36);4-6,9-15,17H,7-8H2,1-3H3,(H,29,30,33);2-6,11-15,17,19H,7-10H2,1H3,(H,28,29,32);1-3,8-16,19H,4-7H2,(H,28,31);3-8,11-17H,9-10H2,1-2H3,(H,27,28,31)/t15-;;;;/m0..../s1 |
| InChIKey | VWIFMSQVHWAPQJ-FWELSTJRSA-N |
| XLogP | 25.46 |
| TPSA | 388.15 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.48 |
| LogP ≤ 5 | 25.46 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |