| CAS Number | 1429515-59-2 |
| Catalog Number | AG01EO7X(AGN-PC-3H4698) |
| Chemical Name | FN-1501 |
| IUPAC Name | N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide |
| InChI | InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28) |
| InChI Key | VXLAKHWYGRKCGI-UHFFFAOYSA-N |
| MDL Number | MFCD31657383 |
| Molecular Formula | C22H25N9O |
| Molecular Weight | 431.4936 |
| SMILES | O=C(C1=NNC=C1NC2=NC=NC3=C2C=CN3)NC4=CC=C(CN5CCN(C)CC5)C=C4 |
| Synonyms | FN-1501,
1429515-59-2,
CHEMBL4077071,
HY-111361,
CS-0039834,
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide,
|
| Complexity | 621 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.218g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.504g/mol |
| Monoisotopic Mass | 431.218g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number