A1A3N
Summary
| Name: | N-{(3S,4S)-1-[(4S)-imidazo[1,5-a]pyridine-8-carbonyl]-4-phenylpiperidin-3-yl}-1H-pyrrole-2-carboxamide |
| Formula: | C24 H23 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 413.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{(3S,4S)-1-[(4S)-imidazo[1,5-a]pyridine-8-carbonyl]-4-phenylpiperidin-3-yl}-1H-pyrrole-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S},4~{S})-1-imidazo[1,5-a]pyridin-8-ylcarbonyl-4-phenyl-piperidin-3-yl]-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1cccn2cncc21)N1CCC(C(NC(=O)c2ccc[NH]2)C1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C24H23N5O2/c30-23(20-9-4-11-26-20)27-21-15-28(13-10-18(21)17-6-2-1-3-7-17)24(31)19-8-5-12-29-16-25-14-22(19)29/h1-9,11-12,14,16,18,21,26H,10,13,15H2,(H,27,30)/t18-,21+/m0/s1 |
| InChIKey | InChI | 1.06 | HKQMQULFONPPAN-GHTZIAJQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@@H]1CN(CC[C@H]1c2ccccc2)C(=O)c3cccn4cncc34)c5[nH]ccc5 |
| SMILES | CACTVS | 3.385 | O=C(N[CH]1CN(CC[CH]1c2ccccc2)C(=O)c3cccn4cncc34)c5[nH]ccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2CCN(C[C@H]2NC(=O)c3ccc[nH]3)C(=O)c4cccn5c4cnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCN(CC2NC(=O)c3ccc[nH]3)C(=O)c4cccn5c4cnc5 |
