| CAS Number | 1269815-17-9 |
| Catalog Number | AG009CAF |
| Chemical Name | CDK-IN-2 |
| IUPAC Name | (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl]piperidine-3-carboxamide |
| InChI | InChI=1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1 |
| InChI Key | AHMKHNVZGOQLRQ-LLVKDONJSA-N |
| MDL Number | MFCD19443121 |
| Molecular Formula | C18H19ClFN3O2 |
| Molecular Weight | 363.8138 |
| SMILES | COc1ccc(cc1c1cc(ncc1Cl)NC(=O)[C@@H]1CCCNC1)F |
| Synonyms | CDK inhibitor II,
1269815-17-9,
CDK-IN-2,
(R)-N-(5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl)piperidine-3-carboxamide,
SCHEMBL1438999,
DTXSID60679175,
AHMKHNVZGOQLRQ-LLVKDONJSA-N,
2942AH,
ZINC83318933,
CS-0239,
NCGC00378804-01,
HY-13033,
W-5803,
(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl]piperidine-3-carboxamide,
Piperidine-3-carboxylic acid [5-chloro-4-(5-fluoro-2-methoxy-phenyl)-pyridin-2-yl]-amide,
C18H19ClFN3O2,
A3293,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.817g/mol |
| Monoisotopic Mass | 363.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number