A1CQU
Summary
| Name: | 4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| Formula: | C16 H20 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 349.815 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-chloranyl-1,3-dimethyl-~{N}-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)pyrazolo[3,4-b]pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CCNC(=O)c1cnc2c(c1Cl)c(C)nn2C)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C16H20ClN5O2/c1-10-13-14(17)11(9-19-15(13)21(2)20-10)16(24)18-6-5-12(23)22-7-3-4-8-22/h9H,3-8H2,1-2H3,(H,18,24) |
| InChIKey | InChI | 1.06 | ZZTUZSXNOWFVDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c2c(Cl)c(cnc12)C(=O)NCCC(=O)N3CCCC3 |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c2c(Cl)c(cnc12)C(=O)NCCC(=O)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c2c(c(cnc2n(n1)C)C(=O)NCCC(=O)N3CCCC3)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c2c(c(cnc2n(n1)C)C(=O)NCCC(=O)N3CCCC3)Cl |
