6S9
Summary
| Name: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea |
| Formula: | C20 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 358.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) |
| InChIKey | InChI | 1.03 | XNCYRRXMFCUPKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccn1)c2n[nH]c3cc(NC(=O)NCc4ccccc4)ncc23 |
| SMILES | CACTVS | 3.385 | Cc1cc(ccn1)c2n[nH]c3cc(NC(=O)NCc4ccccc4)ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4 |
