VH4
Summary
| Name: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
| Formula: | C22 H29 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 400.49 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 1-(3-fluorophenyl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(CCC(C(C)(O)C)C1)NC(=O)N2CCc3c(C2)cnn3c4cccc(c4)F |
| InChI | InChI | 1.03 | InChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)/t16-,18- |
| InChIKey | InChI | 1.03 | APPNXGOPROLJQR-SAABIXHNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@@H]1CC[C@H](CC1)NC(=O)N2CCc3n(ncc3C2)c4cccc(F)c4 |
| SMILES | CACTVS | 3.385 | CC(C)(O)[CH]1CC[CH](CC1)NC(=O)N2CCc3n(ncc3C2)c4cccc(F)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O |
