LZD
Summary
| Name: | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide |
| Formula: | C16 H17 F2 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 349.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 4-[(2,6-difluorophenyl)carbonylamino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1CCCNC1)c3nncc3NC(=O)c2c(F)cccc2F |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1cccc(F)c1C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3 |
| SMILES | CACTVS | 3.341 | Fc1cccc(F)c1C(=O)Nc2c[nH]nc2C(=O)N[CH]3CCCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCCNC3)F |
| InChI | InChI | 1.03 | InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | KOMNQBZWMCFDTQ-VIFPVBQESA-N |
