| CAS Number | 1818389-84-2 |
| Catalog Number | AG01EPZ7(AGN-PC-3H474P) |
| Chemical Name | 5-(4-pyridinyl)-N-[2-[4-(2-pyridinylmethyl)-1-piperazinyl]-5-(trifluoromethyl)phenyl]-2-furancarboxamide |
| IUPAC Name | 5-pyridin-4-yl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide |
| InChI | InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36) |
| InChI Key | VURLRACCOCGFDB-UHFFFAOYSA-N |
| MDL Number | MFCD31810499 |
| Molecular Formula | C27H24F3N5O2 |
| Molecular Weight | 507.5070 |
| SMILES | O=C(C3=CC=C(C4=CC=NC=C4)O3)NC1=CC(C(F)(F)F)=CC=C1N2CCN(CC5=NC=CC=C5)CC2 |
| Synonyms | SPHINX31,
1818389-84-2,
N-(2-(4-(pyridin-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-5-(pyridin-4-yl)furan-2-carboxamide,
SCHEMBL17196904,
BDBM221074,
HY-117661,
US9695160, 12,
5-(4-pyridinyl)-N-[2-[4-(2-pyridinylmethyl)-1-piperazinyl]-5-(trifluoromethyl)phenyl]-2-furancarboxamide,
RXZ,
|
| Complexity | 742 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 507.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 507.517g/mol |
| Monoisotopic Mass | 507.188g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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