| CAS Number | 1489389-18-5 |
| Catalog Number | AG00ABR8(AGN-PC-0WGCVP) |
| Chemical Name | CCT245737 |
| IUPAC Name | 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile |
| InChI | InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1 |
| InChI Key | YBYYWUUUGCNAHQ-LLVKDONJSA-N |
| MDL Number | MFCD30489721 |
| Molecular Formula | C16H16F3N7O |
| Molecular Weight | 379.3397 |
| SMILES | N(C[C@H]1CNCCO1)c1c(C(F)(F)F)cnc(c1)Nc1cnc(cn1)C#N |
| Synonyms | 5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile,
CCT245737,
CCT245737,
1489389-18-5,
CCT-245737,
(R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile,
GTPL9187,
SCHEMBL15392098,
EX-A1607,
MFCD30489721,
AKOS030629815,
ZINC205442186,
compound 4 [PMID: 27167172],
CS-5863,
SB19177,
HY-18958,
J3.603.159J,
5-[(4-{[(2R)-morpholin-2-ylmethyl]amino}-5-(trifluoromethyl)pyridin-2-yl)amino]pyrazine-2-carbonitrile,
,SRA737,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.347g/mol |
| Monoisotopic Mass | 379.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number