| CAS Number | 855527-92-3 |
| Catalog Number | AG00G3PA(AGN-PC-0V1657) |
| Chemical Name | NBI-74330 |
| IUPAC Name | N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide |
| InChI | InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1 |
| InChI Key | XMRGQUDUVGRCBS-HXUWFJFHSA-N |
| MDL Number | MFCD11850718 |
| Molecular Formula | C32H27F4N5O3 |
| Molecular Weight | 605.5821 |
| SMILES | C(C)OC1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)[C@@H](C)N(C(CC2=CC(=C(C=C2)F)C(F)(F)F)=O)CC=2C=NC=CC2 |
| Synonyms | N-1R-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido(2,3-d)pyrimidin-2-yl)-ethyl-N-pyridin-3-ylmethyl-2-(4-fluoro-3-trifluoromethylphenyl)acetamide,
NBI-74330,
NBI-74330,
CHEMBL1077819,
855527-92-3,
ZINC3842038,
BDBM50310502,
AKOS030526933,
CS-2217,
NBI 74330;NBI74330,
HY-15320,
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide,
|
| Complexity | 1020 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 605.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 605.594g/mol |
| Monoisotopic Mass | 605.205g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number