ZUO
Summary
| Name: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine |
| Formula: | C19 H25 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 383.448 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-methyl-4-[5-[(3~{S})-3-methylmorpholin-4-yl]-2-(1~{H}-pyrazol-3-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1COCCN1c1cc(nc2[NH]c(nc21)c1cc[NH]n1)N1CCOCC1C |
| InChI | InChI | 1.06 | InChI=1S/C19H25N7O2/c1-12-10-27-7-5-25(12)15-9-16(26-6-8-28-11-13(26)2)21-19-17(15)22-18(23-19)14-3-4-20-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | LXQPWBFVIIXOMV-OLZOCXBDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1COCCN1c2cc(N3CCOC[C@H]3C)c4nc([nH]c4n2)c5cc[nH]n5 |
| SMILES | CACTVS | 3.385 | C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4nc([nH]c4n2)c5cc[nH]n5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1COCCN1c2cc(nc3c2nc([nH]3)c4cc[nH]n4)N5CCOC[C@@H]5C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc(nc3c2nc([nH]3)c4cc[nH]n4)N5CCOCC5C |
