| CAS Number | 1627696-51-8 |
| Catalog Number | AG00AMH1(AGN-PC-0WNHCJ) |
| Chemical Name | LY-3177833 |
| IUPAC Name | (3R)-3-(5-fluoropyrimidin-4-yl)-3-methyl-6-(1H-pyrazol-4-yl)-2H-isoindol-1-one |
| InChI | InChI=1S/C16H12FN5O/c1-16(14-13(17)7-18-8-19-14)12-3-2-9(10-5-20-21-6-10)4-11(12)15(23)22-16/h2-8H,1H3,(H,20,21)(H,22,23)/t16-/m1/s1 |
| InChI Key | KNLVLWZENYQYRT-MRXNPFEDSA-N |
| MDL Number | MFCD30533280 |
| Molecular Formula | C16H12FN5O |
| Molecular Weight | 309.2978 |
| SMILES | O=C1N[C@@](C)(C2=NC=NC=C2F)C3=C1C=C(C4=CNN=C4)C=C3 |
| Synonyms | 1627696-51-8,
LY3177833,
LY-3177833,
SCHEMBL16035247,
BCP18307,
EX-A1058,
ZINC211357347,
CS-6210,
SB19764,
(R)-3-(5-fluoropyrimidin-4-yl)-3-methyl-6-(1H-pyrazol-4-yl)isoindolin-1-one,
HY-100023,
LY 3177833,
A16325,
|
| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.102588g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.3g/mol |
| Monoisotopic Mass | 309.102588g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number