08G
Summary
| Name: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea |
| Formula: | C16 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 311.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(hydroxymethyl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1~{S})-1-phenylethyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | RAXZSEGXMBWYQK-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO |
