| CAS Number | 473722-68-8 |
| Catalog Number | AG01ENOA(AGN-PC-3H460O) |
| Chemical Name | N-1-[(3-4(-Ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)benzeneacetamide |
| IUPAC Name | N-[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 |
| InChI Key | XMRGQUDUVGRCBS-UHFFFAOYSA-N |
| MDL Number | MFCD22665718 |
| Molecular Formula | C32H27F4N5O3 |
| Molecular Weight | 605.5821 |
| SMILES | O=C1C=2C=CC=NC2N=C(N1C3=CC=C(OCC)C=C3)C(N(C(=O)CC4=CC=C(F)C(=C4)C(F)(F)F)CC=5C=NC=CC5)C |
| Synonyms | 473722-68-8,
( inverted exclamation markA)-NBI 74330,
N-1-[(3-4(-Ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)benzeneacetamide,
855527-92-3,
(plusmn)-NBI 74330,
GTPL839,
SCHEMBL15064525,
NBI74330,
AKOS024458204,
NCGC00379149-01,
(+/-)-NBI 74330,
N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide,
NBI-74330,
D0A8PV,
XMRGQUDUVGRCBS-UHFFFAOYSA-N,
CID10167713,
CID 10167713,
|
| Complexity | 1020 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number