| CAS Number | 1905481-36-8 |
| Catalog Number | AG00ABSK(AGN-PC-0WNHCI) |
| Chemical Name | KDM5A-IN-1 |
| IUPAC Name | N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide |
| InChI | InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1 |
| InChI Key | CXEXTVGTDZRKJS-LLVKDONJSA-N |
| MDL Number | MFCD29924745 |
| Molecular Formula | C15H22N4O2 |
| Molecular Weight | 290.3608 |
| SMILES | [C@H]1(NC(=O)C2CC2)CN(C(C2=CC(C(C)C)=NN2)=O)CC1 |
| Synonyms | KDM5A-IN-1,
1905481-36-8,
N-{(3r)-1-[3-(Propan-2-Yl)-1h-Pyrazole-5-Carbonyl]pyrrolidin-3-Yl}cyclopropanecarboxamide,
90V,
CHEMBL4088737,
SCHEMBL19513970,
BDBM281089,
BCP20658,
US10022354, Example 29,
AKOS030526685,
ZINC521836460,
CS-5562,
NCGC00482457-02,
HY-100014,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.367g/mol |
| Monoisotopic Mass | 290.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number