C125H147N19O9 — CID 160526580
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2,6-dimethoxyphenol;2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-pentan-3-ylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 160526580) has the molecular formula C125H147N19O9 and a molecular weight of 2059.67 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2,6-dimethoxyphenol;2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-pentan-3-ylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine.
| Compound Name | 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2,6-dimethoxyphenol;2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-pentan-3-ylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine |
|---|---|
| PubChem CID | 160526580 |
| Molecular Formula | C125H147N19O9 |
| Molecular Weight | 2059.67 g/mol |
| Exact Mass | 2058.16 |
| IUPAC Name | 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2,6-dimethoxyphenol;2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-pentan-3-ylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine |
| SMILES | CCC(CC)c1nc2ccccn2c1NC1CCCCC1.COc1cc(-c2nc3ccccn3c2NC2CCCCC2)cc(OC)c1O.COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1OC.O=[N+]([O-])c1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1.Oc1ccccc1-c1nc2ccccn2c1NC1CCCCC1.c1ccc(COc2ccc(Cc3nc4ccccn4c3NC3CCCCC3)cc2)cc1 |
| InChI | InChI=1S/C27H29N3O.C21H25N3O3.C21H25N3O2.C19H20N4O2.C19H21N3O.C18H27N3/c1-3-9-22(10-4-1)20-31-24-16-14-21(15-17-24)19-25-27(28-23-11-5-2-6-12-23)30-18-8-7-13-26(30)29-25;1-26-16-12-14(13-17(27-2)20(16)25)19-21(22-15-8-4-3-5-9-15)24-11-7-6-10-18(24)23-19;1-25-17-12-11-15(14-18(17)26-2)20-21(22-16-8-4-3-5-9-16)24-13-7-6-10-19(24)23-20;24-23(25)16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18;23-16-11-5-4-10-15(16)18-19(20-14-8-2-1-3-9-14)22-13-7-6-12-17(22)21-18;1-3-14(4-2)17-18(19-15-10-6-5-7-11-15)21-13-9-8-12-16(21)20-17/h1,3-4,7-10,13-18,23,28H,2,5-6,11-12,19-20H2;6-7,10-13,15,22,25H,3-5,8-9H2,1-2H3;6-7,10-14,16,22H,3-5,8-9H2,1-2H3;4-5,8-13,15,20H,1-3,6-7H2;4-7,10-14,20,23H,1-3,8-9H2;8-9,12-15,19H,3-7,10-11H2,1-2H3 |
| InChIKey | QUZCCCUOGYEUFN-UHFFFAOYSA-N |
| XLogP | 29.57 |
| TPSA | 305.73 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2059.67 |
| LogP ≤ 5 | 29.57 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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