| CAS Number | 1704740-52-2 |
| Catalog Number | AG01ENJR(AGN-PC-3H45NH) |
| Chemical Name | (2S)-N-[4-[[3-Cyano-1-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-2-pyrrolidinecarboxamide |
| IUPAC Name | (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C24H26N4O2/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1 |
| InChI Key | OOGHGWKBJXQNEJ-QFIPXVFZSA-N |
| MDL Number | MFCD30742931 |
| Molecular Formula | C24H26N4O2 |
| Molecular Weight | 402.4888 |
| SMILES | N1CCC[C@H]1C(NC1=CC=C(OC2C=CC3=C(C=2)C(C#N)=CN3CC(C)C)C=C1)=O |
| Synonyms | AZ PFKFB3 26,
CHEMBL3422651,
1704740-52-2,
(2S)-N-[4-[[3-Cyano-1-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-2-pyrrolidinecarboxamide,
BDBM50082203,
AKOS032947163,
OOGHGWKBJXQNEJ-QFIPXVFZSA-N,
|
| Complexity | 636 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.498g/mol |
| Monoisotopic Mass | 402.206g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number