JCE
Summary
| Name: | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine |
| Formula: | C17 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 289.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N5/c18-17-10-15(20-21-17)13-5-4-12-6-8-22(16(12)9-13)11-14-3-1-2-7-19-14/h1-10H,11H2,(H3,18,20,21) |
| InChIKey | InChI | 1.03 | QCOOOKJAGFXTOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2 |
| SMILES | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N |
