| CAS Number | 2102410-45-5 |
| Catalog Number | AG01DGV1 |
| Chemical Name | 5-tert-butyl 3-ethyl 2-{1-[(benzyloxy)carbonyl]piperidin-4-yl}-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate |
| IUPAC Name | 5-O-tert-butyl 3-O-ethyl 2-(1-phenylmethoxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate |
| InChI | InChI=1S/C27H36N4O6/c1-5-35-24(32)23-21-17-30(26(34)37-27(2,3)4)16-13-22(21)28-31(23)20-11-14-29(15-12-20)25(33)36-18-19-9-7-6-8-10-19/h6-10,20H,5,11-18H2,1-4H3 |
| InChI Key | PXQYPRFHOPSECN-UHFFFAOYSA-N |
| MDL Number | MFCD31579974 |
| Molecular Formula | C27H36N4O6 |
| Molecular Weight | 512.5979 |
| SMILES | CCOC(=O)c1c2CN(CCc2nn1C1CCN(CC1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C |
| Synonyms | 5-tert-butyl 3-ethyl 2-(1-((benzyloxy)carbonyl)piperidin-4-yl)-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate,
ZINC642881991,
2102410-45-5,
|
| Complexity | 803 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.263g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512.607g/mol |
| Monoisotopic Mass | 512.263g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number