| CAS Number | 1432908-05-8 |
| Catalog Number | AG009CMJ(AGN-PC-0WGD0H) |
| Chemical Name | FRAX1036 |
| IUPAC Name | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34) |
| InChI Key | RYCBSFIKWACFBY-UHFFFAOYSA-N |
| MDL Number | MFCD30187513 |
| Molecular Formula | C28H32ClN7O |
| Molecular Weight | 518.0530 |
| SMILES | ClC1=C(C=CC(=C1)C1=NC(=CN=C1)C)C1=CC2=C(N=C(N=C2)NCCC2CCN(CC2)C)N(C1=O)CC |
| Synonyms | FRAX1036,
1432908-05-8,
FRAX-1036,
CHEMBL3770186,
6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one,
6-[2-Chloro-4-(6-Methylpyrazin-2-Yl)phenyl]-8-Ethyl-2-{[2-(1-Methylpiperidin-4-Yl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8h)-One,
SCHEMBL14928919,
FRAX 1036,
BCP20209,
EX-A2370,
BDBM50148931,
s7989,
AKOS030526533,
ZINC205502630,
CS-5585,
AK547383,
HY-19538,
J3.561.012J,
|
| Complexity | 803 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 517.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 518.062g/mol |
| Monoisotopic Mass | 517.236g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
|
Signal Words
|
|
Certificate of Analysis
Lot Number