| CAS Number | 1361414-26-7 |
| Catalog Number | AG009F8L(AGN-PC-0WH45M) |
| Chemical Name | N-(4'-Cyano[1,1'-biphenyl]-4-yl)-N'-[4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl] Urea |
| IUPAC Name | 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea |
| InChI | InChI=1S/C26H18N6O/c27-15-17-1-3-18(4-2-17)19-5-9-21(10-6-19)31-26(33)32-22-11-7-20(8-12-22)23-13-14-28-25-24(23)29-16-30-25/h1-14,16H,(H,28,29,30)(H2,31,32,33) |
| InChI Key | FEDMEJWMCJAMHE-UHFFFAOYSA-N |
| MDL Number | MFCD28160686 |
| Molecular Formula | C26H18N6O |
| Molecular Weight | 430.4607 |
| SMILES | O=C(NC1=CC=C(C2=CC=C(C#N)C=C2)C=C1)NC3=CC=C(C4=CC=NC5=C4N=CN5)C=C3 |
| Synonyms | 1361414-26-7,
ML368,
CHEMBL1951444,
N-(4'-Cyano[1,1'-biphenyl]-4-yl)-N'-[4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl] Urea,
MLS004820089,
BDBM50364654,
ZINC73293204,
AKOS027447104,
NCGC00386826-01,
SMR003523704,
1-(4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl)-3-(4'-cyano-[1,1'-biphenyl]-4-yl)urea,
1-(4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl)-3-(4-cyano-[1,1-biphenyl]-4-yl)urea,
FEDMEJWMCJAMHE-UHFFFAOYSA-N,
|
| Complexity | 697 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.471g/mol |
| Monoisotopic Mass | 430.154g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number