Home Halogens 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl}pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl}pyridin-2-one

CAS No.:
1453848-26-4
Catalog Number:
AG00ABK7
Molecular Formula:
C21H18ClFN6O2
Molecular Weight:
440.8580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$119
- +
5mg
99%
1 week
United States
$190
- +
10mg
99%
1 week
United States
$223
- +
50mg
99%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG00ABK7
Chemical Name:
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl}pyridin-2-one
CAS Number:
1453848-26-4
Molecular Formula:
C21H18ClFN6O2
Molecular Weight:
440.8580
MDL Number:
MFCD28143918
IUPAC Name:
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
InChI:
InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
InChI Key:
RZUOCXOYPYGSKL-GOSISDBHSA-N
SMILES:
OC[C@@H](n1ccc(cc1=O)c1ccnc(n1)Nc1ccnn1C)c1ccc(c(c1)F)Cl
UNII:
R6AXV96CRH
Properties
Complexity:
709  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
440.116g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
440.863g/mol
Monoisotopic Mass:
440.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties