B815893 - CAS 946497-95-6
Catalog: |
BB055446 |
Product Name: |
B815893 |
CAS: |
946497-95-6 |
Synonyms: |
TERT-BUTYL 3'-AMINO-1'H-SPIRO[CYCLOPROPANE-1,6'-PYRROLO[3,4-C]PYRAZOLE]-5'(4'H)-CARBOXYLATE; 3'-Amino-5'-Boc-1',4'-dihydrospiro[cyclopropane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]; tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-c]pyrazole-6,1'-cyclopropane]-5-carboxylate; 2-Methyl-2-propanyl 3'-amino-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxylate; 5'-BOC-3'-Amino-1'H,4'H-spiro[cyclopropane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]; tert-Butyl 3'-amino-2'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'(4'H)-carboxylate |
IUPAC Name: | tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-c]pyrazole-6,1'-cyclopropane]-5-carboxylate |
Molecular Weight: | 250.29 |
Molecular Formula: | C12H18N4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=C(C13CC3)NN=C2N |
InChI: | InChI=1S/C12H18N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16)4-5-12)14-15-9(7)13/h4-6H2,1-3H3,(H3,13,14,15) |
InChI Key: | GEEYXEHYZYEWAT-UHFFFAOYSA-N |
References: | Deaton, D. N., et al. Bioorg. Med. Chem., 26, 2107 (2018). |
Complexity: | 375 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.14297583 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.14297583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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