| CAS Number | 1038915-58-0 |
| Catalog Number | AG0097H5 |
| Chemical Name | MK-4827 (R-enantiomer) |
| IUPAC Name | 2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide |
| InChI | InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m0/s1 |
| InChI Key | PCHKPVIQAHNQLW-AWEZNQCLSA-N |
| MDL Number | MFCD28385806 |
| Molecular Formula | C19H20N4O |
| Molecular Weight | 320.3883 |
| SMILES | N1C[C@H](CCC1)C1=CC=C(C=C1)N1N=C2C(=CC=CC2=C1)C(=O)N |
| Synonyms | Niraparib R-enantiomer,
1038915-58-0,
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide,
CHEMBL1097260,
MK-4827 (R-enantiomer),
MK4827 R-enantiomer,
SCHEMBL1422151,
BDBM50316225,
HY-10619D,
MFCD28385806,
ZINC49087983,
AKOS030621516,
CS-3085,
AX8326060,
(S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide,
1038915-60-4,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.396g/mol |
| Monoisotopic Mass | 320.164g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number