W5P
Summary
| Name: | 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C11 H13 F N4 |
| Formal charge: | 0 |
| Formula weight: | 220.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{R})-3-fluoranylpiperidin-1-yl]-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1nc3nccc3c(n1)N2CCCC(F)C2 |
| InChI | InChI | 1.03 | InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | QSYGVQIPKLCKAM-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | F[C@@H]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | F[CH]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC(C3)F |
