| CAS Number | 2227425-05-8 |
| Catalog Number | AG01EOI0(AGN-PC-3H46DP) |
| Chemical Name | PF-06869206 |
| IUPAC Name | 3-chloro-7-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile |
| InChI | InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1 |
| InChI Key | ATFQBBCQZKVZJN-QMMMGPOBSA-N |
| MDL Number | MFCD31657405 |
| Molecular Formula | C15H14ClF3N4O2 |
| Molecular Weight | 374.7455 |
| SMILES | N#CC1=C(C(F)(F)F)N=C2C(NC(C)=C2Cl)=C1N3C[C@@H](CO)OCC3 |
| Synonyms | PF-06869206,
2227425-05-8,
NaPi2a inhibitor,
(s)-3-chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile,
3-chloro-7-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile,
EX-A1877,
ACN-055562,
HY-112065,
CS-0043242,
PF06869206,
PF 06869206,
PF06869206,,
PF 06869206;,
PF-06869206;,
PF06869206; PF-6869206,
|
| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.748g/mol |
| Monoisotopic Mass | 374.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number