A1CAH
Summary
| Name: | (1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate |
| Formula: | C19 H24 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 384.432 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate |
| OpenEye OEToolkits | 3.1.0.0 | [(1~{R},3~{S})-3-[3-(pyrazin-2-ylcarbonylamino)-1~{H}-pyrazol-5-yl]cyclopentyl] ~{N}-[(1~{R})-1-cyclopropylethyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C2CC2)C1)c1cnccn1 |
| InChI | InChI | 1.06 | InChI=1S/C19H24N6O3/c1-11(12-2-3-12)22-19(27)28-14-5-4-13(8-14)15-9-17(25-24-15)23-18(26)16-10-20-6-7-21-16/h6-7,9-14H,2-5,8H2,1H3,(H,22,27)(H2,23,24,25,26)/t11-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.06 | AAIJQAZPXHSVEP-IACUBPJLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)O[C@@H]1CC[C@@H](C1)c2[nH]nc(NC(=O)c3cnccn3)c2)C4CC4 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)O[CH]1CC[CH](C1)c2[nH]nc(NC(=O)c3cnccn3)c2)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](C1CC1)NC(=O)O[C@@H]2CC[C@@H](C2)c3cc(n[nH]3)NC(=O)c4cnccn4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C1CC1)NC(=O)OC2CCC(C2)c3cc(n[nH]3)NC(=O)c4cnccn4 |
