| CAS Number | 1290627-64-3 |
| Catalog Number | AG00HRWH(AGN-PC-0WG4JI) |
| Chemical Name | tert-butyl 2',8',13'-triazaspiro[azetidine-3,7'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(13'),3',5',9',11'-pentaene-1-carboxylate |
| IUPAC Name | tert-butyl spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-azetidine]-1'-carboxylate |
| InChI | InChI=1S/C17H20N4O2/c1-16(2,3)23-15(22)20-10-17(11-20)13-7-5-9-21(13)14-12(19-17)6-4-8-18-14/h4-9,19H,10-11H2,1-3H3 |
| InChI Key | ZQEILKKPKROLED-UHFFFAOYSA-N |
| MDL Number | MFCD19442504 |
| Molecular Formula | C17H20N4O2 |
| Molecular Weight | 312.3663 |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)Nc1cccnc1-n1cccc21 |
| Synonyms | 1290627-64-3,
tert-butyl 5'H-spiro[azetidine-3,6'-pyrido[3,2-e]pyrrolo[1,2-a]pyrazine]-1-carboxylate,
Tert-Butyl 5H-Spiro[Azetidine-3,6-Pyrido[3,2-E]Pyrrolo[1,2-A]Pyrazine]-1-Carboxylate,
MFCD19442504,
ZINC91303012,
AM804945,
CS-0038187,
t-Butyl 5'H-spiro[azetidine-3,6'-pyrido[3,2-e]pyrrolo[1,2-a]pyrazine]-1-carboxylate,
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| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.373g/mol |
| Monoisotopic Mass | 312.159g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number