4HK
Summary
| Name: | 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile |
| Formula: | C22 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 372.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile |
| OpenEye OEToolkits | 1.7.6 | 5-[7-ethyl-6-[(3S)-oxolan-3-yl]oxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]pyridine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ncc(cc1)c2c5c(nn2)c4cc(c(OC3CCOC3)cc4C5)CC |
| InChI | InChI | 1.03 | InChI=1S/C22H20N4O2/c1-2-13-7-18-15(9-20(13)28-17-5-6-27-12-17)8-19-21(25-26-22(18)19)14-3-4-16(10-23)24-11-14/h3-4,7,9,11,17H,2,5-6,8,12H2,1H3,(H,25,26)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | OAWMFMUHXBYJGX-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1cc2c(Cc3c([nH]nc23)c4ccc(nc4)C#N)cc1O[C@H]5CCOC5 |
| SMILES | CACTVS | 3.370 | CCc1cc2c(Cc3c([nH]nc23)c4ccc(nc4)C#N)cc1O[CH]5CCOC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1cc-2c(cc1OC3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N |
