| CAS Number | 2089288-03-7 |
| Catalog Number | AG01EO9B(AGN-PC-3H46AF) |
| Chemical Name | AZD1390 |
| IUPAC Name | 7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one |
| InChI | InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3 |
| InChI Key | VQSZIPCGAGVRRP-UHFFFAOYSA-N |
| MDL Number | MFCD31619275 |
| Molecular Formula | C27H32FN5O2 |
| Molecular Weight | 477.5737 |
| SMILES | FC=1C(=CC=2C3=C(C=NC2C1)N(C(N3C(C)C)=O)C)C=3C=NC(=CC3)OCCCN3CCCCC3 |
| Synonyms | AZD1390,
2089288-03-7,
SCHEMBL18631972,
AZD-1390,
EX-A2670,
CS-8217,
HY-109566,
AK00799420,
A16798,
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| Complexity | 720 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 477.254g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.584g/mol |
| Monoisotopic Mass | 477.254g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number