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Home Carboxys Pyrrolidine-2-carboxylic acid {4-[2-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-phenyl}-amide

Pyrrolidine-2-carboxylic acid {4-[2-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-phenyl}-amide

CAS No.:
945755-56-6
Catalog Number:
AG01DMY0
Molecular Formula:
C25H28N6O2
Molecular Weight:
444.5288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥90%
1 week
United States
$161
- +
5mg
98%
1 week
United States
$182
- +
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$404
- +
Product Description
Catalog Number:
AG01DMY0
Chemical Name:
Pyrrolidine-2-carboxylic acid {4-[2-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-phenyl}-amide
CAS Number:
945755-56-6
Molecular Formula:
C25H28N6O2
Molecular Weight:
444.5288
MDL Number:
MFCD24386874
IUPAC Name:
(2S)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1
InChI Key:
ISOCDPQFIXDIMS-QHCPKHFHSA-N
SMILES:
O=C([C@@H]1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1
UNII:
4L1AM42NVA
Properties
Complexity:
614  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
444.227g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
444.539g/mol
Monoisotopic Mass:
444.227g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
SAR and in vivo evaluation of 4-aryl-2-aminoalkylpyrimidines as potent and selective Janus kinase 2 (JAK2) inhibitors. Bioorganic & medicinal chemistry letters 20121215
Properties