| CAS Number | 1430218-51-1 |
| Catalog Number | AG009IPB |
| Chemical Name | VI16832 |
| IUPAC Name | 2-[4-(2-aminoethoxy)anilino]-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C22H25N5O2/c23-9-10-29-18-6-4-17(5-7-18)25-22-24-13-16-3-8-20(28)27(21(16)26-22)19-12-14-1-2-15(19)11-14/h3-8,13-15,19H,1-2,9-12,23H2,(H,24,25,26) |
| InChI Key | RCSLGYIVHUXZCI-UHFFFAOYSA-N |
| MDL Number | MFCD28386560 |
| Molecular Formula | C22H25N5O2 |
| Molecular Weight | 391.4662 |
| SMILES | C1(NC2=CC=C(OCCN)C=C2)=NC=C2C=CC(=O)N(C3CC4CC3CC4)C2=N1 |
| Synonyms | VI 16832,
1430218-51-1,
VI16832,
SCHEMBL14873890,
BCP28715,
CS-8055,
2-(4-(2-aminoethoxy)phenylamino)-8-(bicyclo[2.2.1]heptan-2-yl)pyrido[2,3-d]pyrimidin-7(8H)-one,
HY-18623,
|
| Complexity | 620 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.475g/mol |
| Monoisotopic Mass | 391.201g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number