| CAS Number | 1422344-36-2 |
| Catalog Number | AG00HWF3(AGN-PC-0WG4ST) |
| Chemical Name | 6-tert-Butyl 3-ethyl 2-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate |
| IUPAC Name | 6-O-tert-butyl 3-O-ethyl 2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate |
| InChI | InChI=1S/C15H23N3O4/c1-6-21-13(19)12-10-7-8-18(9-11(10)16-17(12)5)14(20)22-15(2,3)4/h6-9H2,1-5H3 |
| InChI Key | IJFQIUPMERSMPN-UHFFFAOYSA-N |
| MDL Number | MFCD28964115 |
| Molecular Formula | C15H23N3O4 |
| Molecular Weight | 309.3608 |
| SMILES | CCOC(=O)c1c2CCN(Cc2nn1C)C(=O)OC(C)(C)C |
| Synonyms | 6-tert-Butyl 3-ethyl 2-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate,
1422344-36-2,
MFCD23378340,
AKOS027255286,
ZINC261213659,
CS-0037829,
6-t-Butyl 3-ethyl 2-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate,
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| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.366g/mol |
| Monoisotopic Mass | 309.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number