C143H138ClF3N22O17 — CID 173059542
N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-1-[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-hydroxyimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-[4-[(2S)-2-[(3-cyano-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 173059542) has the molecular formula C143H138ClF3N22O17 and a molecular weight of 2529.26 g/mol. Its IUPAC name is N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-1-[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-hydroxyimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-[4-[(2S)-2-[(3-cyano-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]imidazo[1,2-a]pyridine-7-carboxamide.
| Compound Name | N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-1-[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-hydroxyimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-[4-[(2S)-2-[(3-cyano-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]imidazo[1,2-a]pyridine-7-carboxamide |
|---|---|
| PubChem CID | 173059542 |
| Molecular Formula | C143H138ClF3N22O17 |
| Molecular Weight | 2529.26 g/mol |
| Exact Mass | 2527.03 |
| IUPAC Name | N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-1-[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-hydroxyimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[(2S)-4-hydroxy-1-[4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-[4-[(2S)-2-[(3-cyano-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]imidazo[1,2-a]pyridine-7-carboxamide |
| SMILES | CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4ccc(C(N)=O)cc4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(C#N)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(C(F)(F)F)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(Cl)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(O)c4n3)cc2)cc1C#N |
| InChI | InChI=1S/C29H27F3N4O3.C29H29N5O4.C29H27N5O3.C28H27ClN4O3.C28H28N4O4/c1-18(2)39-26-10-9-21(15-22(26)16-33)28(38)34-23(11-13-37)14-19-5-7-20(8-6-19)25-17-36-12-3-4-24(27(36)35-25)29(30,31)32;1-18(2)38-26-8-7-22(14-23(26)16-30)29(37)32-24(10-12-35)13-19-3-5-20(6-4-19)25-17-34-11-9-21(28(31)36)15-27(34)33-25;1-19(2)37-27-10-9-22(15-24(27)17-31)29(36)32-25(11-13-35)14-20-5-7-21(8-6-20)26-18-34-12-3-4-23(16-30)28(34)33-26;1-18(2)36-26-10-9-21(15-22(26)16-30)28(35)31-23(11-13-34)14-19-5-7-20(8-6-19)25-17-33-12-3-4-24(29)27(33)32-25;1-18(2)36-26-10-9-21(15-22(26)16-29)28(35)30-23(11-13-33)14-19-5-7-20(8-6-19)24-17-32-12-3-4-25(34)27(32)31-24/h3-10,12,15,17-18,23,37H,11,13-14H2,1-2H3,(H,34,38);3-9,11,14-15,17-18,24,35H,10,12-13H2,1-2H3,(H2,31,36)(H,32,37);3-10,12,15,18-19,25,35H,11,13-14H2,1-2H3,(H,32,36);3-10,12,15,17-18,23,34H,11,13-14H2,1-2H3,(H,31,35);3-10,12,15,17-18,23,33-34H,11,13-14H2,1-2H3,(H,30,35)/t23-;24-;25-;2*23-/m11111/s1 |
| InChIKey | UJUIYZWBRZAHFI-GYCLCDAVSA-N |
| XLogP | 22.27 |
| TPSA | 585.36 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2529.26 |
| LogP ≤ 5 | 22.27 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 33 |