| CAS Number | 1839150-56-9 |
| Catalog Number | AG01E3FU |
| Chemical Name | 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-(dimethylamino)ethanone |
| IUPAC Name | 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone |
| InChI | InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1 |
| InChI Key | IZNAFSDUTMZGSF-LJQANCHMSA-N |
| MDL Number | MFCD30182360 |
| Molecular Formula | C26H29N7O2 |
| Molecular Weight | 471.5542 |
| SMILES | NC1=C2C(N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@H]5CN(C(CN(C)C)=O)CCC5)=NC=N1 |
| Synonyms | 1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1-yl)-2-(dimethylamino)ethanone,
CHMFL-FLT3-122,
CHMFL-FLT3-122,
1839150-56-9,
CHEMBL3745919,
SCHEMBL17951497,
BDBM50135187,
AKOS027470292,
ZINC583646004,
SB19826,
J3.552.330H,
1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-(dimethylamino)-ethanone,
IZNAFSDUTMZGSF-LJQANCHMSA-N,
|
| Complexity | 695 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 471.238g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.565g/mol |
| Monoisotopic Mass | 471.238g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number