| CAS Number | 229002-10-2 |
| Catalog Number | AG01FTRK(AGN-PC-0QZGV8) |
| Chemical Name | MAPK13-IN-1 |
| IUPAC Name | 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea |
| InChI | InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26) |
| InChI Key | MHSLDASSAFCCDO-UHFFFAOYSA-N |
| MDL Number | MFCD07776967 |
| Molecular Formula | C20H23N5O2 |
| Molecular Weight | 365.4289 |
| SMILES | N(C1N(C)N=C(C(C)(C)C)C=1)C(NC1=CC=C(OC2C=CN=CC=2)C=C1)=O |
| Synonyms | MAPK13-IN-1,
CHEMBL472620,
1-(3-Tert-Butyl-1-Methyl-1h-Pyrazol-5-Yl)-3-[4-(Pyridin-4-Yloxy)phenyl]urea,
229002-10-2,
4eyj,
1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(pyridin-4-yloxy)phenyl)urea,
SCHEMBL667587,
MHSLDASSAFCCDO-UHFFFAOYSA-N,
BDBM50249406,
ZINC40407443,
HY-18850,
CS-0014526,
Q27463685,
n-(3-tert-butyl-1-methyl-5-pyrazolyl)-n'-(4-(4-pyridinyloxy)phenyl)urea,
N61,
|
| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.185175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.4g/mol |
| Monoisotopic Mass | 365.185175g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number