| CAS Number | 1407966-77-1 |
| Catalog Number | AG009ECI(AGN-PC-0WH3MA) |
| Chemical Name | PF 06465469
Discontinued See A191400 |
| IUPAC Name | 3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide |
| InChI | InChI=1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1 |
| InChI Key | CGJVMKJGKFEHTL-HSZRJFAPSA-N |
| MDL Number | MFCD23381175 |
| Molecular Formula | C30H33N7O2 |
| Molecular Weight | 523.6287 |
| SMILES | C(NC1=CC=C(C(C)C)C(C)=C1)(=O)C1=CC=CC(C2C3=C(N)N=CN=C3N([C@@H]3CCCN(C(=O)C=C)C3)N=2)=C1 |
| Synonyms | PF 06465469,
1407966-77-1,
CHEMBL2179805,
Discontinued See A191400,
Discontinued See A191400",
BDBM50399459,
ZINC95572874,
AKOS024458306,
NCGC00379184-02,
PF-06465469,
(R)-3-(1-(1-Acryloylpiperidin-3-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methyl-4-(1-methylethyl))benzamide,
(R)-3-(1-(1-acryloylpiperidin-3-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-(4-isopropyl-3-methylphenyl)benzamide,
(R)-3-[1-(1-Acryloylpiperidin-3-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-isopropyl-5-methylphenyl)benzamide,
CGJVMKJGKFEHTL-HSZRJFAPSA-N,
|
| Complexity | 883 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 523.27g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 523.641g/mol |
| Monoisotopic Mass | 523.27g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number