5U4
Summary
| Name: | 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one |
| Formula: | C17 H16 N6 O |
| Formal charge: | 0 |
| Formula weight: | 320.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20) |
| InChIKey | InChI | 1.03 | VVMMTCDXQMWVBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(n1)C2=CN(C(=O)c3c(N)n[nH]c23)c4ccccc4C |
| SMILES | CACTVS | 3.385 | Cn1ccc(n1)C2=CN(C(=O)c3c(N)n[nH]c23)c4ccccc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C |
