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OICR-9429

CAS No.:
1801787-56-3
Catalog Number:
AG0021QY
Molecular Formula:
C29H32F3N5O3
Molecular Weight:
555.5913
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
$257
- +
25mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$807
- +
100mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG0021QY
Chemical Name:
OICR-9429
CAS Number:
1801787-56-3
Molecular Formula:
C29H32F3N5O3
Molecular Weight:
555.5913
IUPAC Name:
N-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)
InChI Key:
DJOVLOYCGXNVPI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1
Properties
Complexity:
973  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.246g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
555.602g/mol
Monoisotopic Mass:
555.246g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties