A1D2F
Summary
| Name: | N-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| Formula: | C16 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 293.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(6,7-dihydro-5~{H}-cyclopenta[b]pyridin-2-ylmethyl)-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1ccc2CCCc2n1)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H15N5O/c22-16(14-12-6-7-17-15(12)20-9-19-14)18-8-11-5-4-10-2-1-3-13(10)21-11/h4-7,9H,1-3,8H2,(H,18,22)(H,17,19,20) |
| InChIKey | InChI | 1.06 | NVDGDEFSCZXKAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc2CCCc2n1)c3ncnc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccc2CCCc2n1)c3ncnc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(nc2c1CCC2)CNC(=O)c3c4cc[nH]c4ncn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(nc2c1CCC2)CNC(=O)c3c4cc[nH]c4ncn3 |
