AQ5
Summary
| Name: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane |
| Formula: | C20 H24 N6 |
| Formal charge: | 0 |
| Formula weight: | 348.445 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H24N6/c1-2-8-25-20(6-1)7-3-11-26(13-20)17-5-10-22-19-18(17)15(12-23-19)16-4-9-21-14-24-16/h4-5,9-10,12,14,25H,1-3,6-8,11,13H2,(H,22,23)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | UELSMLDRSQFVHG-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC[C@@]2(CCCN(C2)c3ccnc4[nH]cc(c5ccncn5)c34)NC1 |
| SMILES | CACTVS | 3.385 | C1CC[C]2(CCCN(C2)c3ccnc4[nH]cc(c5ccncn5)c34)NC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc2c(c1N3CCCC4(C3)CCCCN4)c(c[nH]2)c5ccncn5 |
