| CAS Number | 1642187-96-9 |
| Catalog Number | AG01ENJQ(AGN-PC-3H45NF) |
| Chemical Name | 2-(2-(3-Chloro-4-fluorophenyl)-6-(3-morpholinopropoxy)-4-oxopyrido[2,3-d]pyrimidin-3(4H)-yl)-N-isopropylacetamide hydroChloride |
| IUPAC Name | 2-[2-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide;hydrochloride |
| InChI | InChI=1S/C25H29ClFN5O4.ClH/c1-16(2)29-22(33)15-32-24(17-4-5-21(27)20(26)12-17)30-23-19(25(32)34)13-18(14-28-23)36-9-3-6-31-7-10-35-11-8-31;/h4-5,12-14,16H,3,6-11,15H2,1-2H3,(H,29,33);1H |
| InChI Key | NUIXGNLBPARAII-UHFFFAOYSA-N |
| MDL Number | MFCD30742933 |
| Molecular Formula | C25H30Cl2FN5O4 |
| Molecular Weight | 554.4412 |
| SMILES | Cl.ClC=1C=C(C=CC1F)C=1N(C(C2=C(N1)N=CC(=C2)OCCCN2CCOCC2)=O)CC(=O)NC(C)C |
| Synonyms | 1642187-96-9,
TASP 0390325,
AKOS032947165,
2-(3-Chloro-4-fluorophenyl)-N-(1-methylethyl)-6-[3-(4-morpholinyl)propoxy]-4-oxo-pyrido[2,3-d]pyrimidine-3(4H)-acetamide hydrochloride,
2-(3-Chloro-4-fluorophenyl)-N-(1-methylethyl)-6-[3-(4-morpholinyl)propoxy]-4-oxo-pyrido[2,3-d]pyrimidine-3(4H)-acetamidehydrochloride,
NUIXGNLBPARAII-UHFFFAOYSA-N,
|
| Complexity | 796 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 553.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 554.444g/mol |
| Monoisotopic Mass | 553.166g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 96.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number