9RP
Summary
| Name: | 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol |
| Formula: | C16 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 276.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol |
| OpenEye OEToolkits | 1.7.6 | 2-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3(c(c(c2cc1c(ccnc1)n2)cn3)O)c4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O/c21-16-13(10-18-20(16)12-4-2-1-3-5-12)15-8-11-9-17-7-6-14(11)19-15/h1-10,19,21H |
| InChIKey | InChI | 1.03 | GOEIALIONKXAFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1n(ncc1c2[nH]c3ccncc3c2)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Oc1n(ncc1c2[nH]c3ccncc3c2)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O |
