| CAS Number | 1644069-80-6 |
| Catalog Number | AG01EO7R(AGN-PC-3H4I6H) |
| Chemical Name | DDR Inhibitor |
| IUPAC Name | N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide |
| InChI | InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31) |
| InChI Key | ZPVUIOVIUFJGHO-UHFFFAOYSA-N |
| MDL Number | MFCD31567545 |
| Molecular Formula | C23H20FN5O2 |
| Molecular Weight | 417.4356 |
| SMILES | FC=1C=C(C=CC1)NC(NCC=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C)=O |
| Synonyms | DDR Inhibitor,
CHEMBL3608786,
1644069-80-6,
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide,
DDR inhibitor X,
GTPL8733,
SCHEMBL16370175,
BDBM50112617,
compound 4 [PMID: 26191369],
CS-W020277,
HY-W018931,
4VD,
N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide,
|
| Complexity | 635 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.444g/mol |
| Monoisotopic Mass | 417.16g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number