| CAS Number | 1618658-88-0 |
| Catalog Number | AG01EOQ1(AGN-PC-3H46HE) |
| Chemical Name | CC-671 |
| IUPAC Name | 4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide |
| InChI | InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) |
| InChI Key | CWJLAVRXVFHDSJ-UHFFFAOYSA-N |
| MDL Number | MFCD31619262 |
| Molecular Formula | C28H28N6O4 |
| Molecular Weight | 512.5597 |
| SMILES | C1(CCCC1)OC=1C2=C(N=C(N1)NC1=C(C=C(C(=O)NC)C=C1)OC)NC=C2C2=CC1=C(N=C(O1)C)C=C2 |
| Synonyms | cc-671,
1618658-88-0,
CC671,
4-{[4-(Cyclopentyloxy)-5-(2-Methyl-1,3-Benzoxazol-6-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl]amino}-3-Methoxy-N-Methylbenzamide,
CHEMBL4062218,
SCHEMBL16476100,
US9623028, Compound 38,
BDBM317462,
EX-A1868,
CS-8218,
4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide,
HY-108709,
4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6-yl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide,
CQ7,
|
| Complexity | 814 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.217g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512.57g/mol |
| Monoisotopic Mass | 512.217g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number