Home Other Building Blocks N-methyl-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

N-methyl-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

CAS No.:
941057-08-5
Catalog Number:
AG01E3KP
Molecular Formula:
C22H21F3N8O2
Molecular Weight:
486.4497
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Product Description
Catalog Number:
AG01E3KP
Chemical Name:
N-methyl-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CAS Number:
941057-08-5
Molecular Formula:
C22H21F3N8O2
Molecular Weight:
486.4497
MDL Number:
MFCD09393550
IUPAC Name:
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
InChI:
InChI=1S/C22H21F3N8O2/c1-31(12-16-26-15-5-3-2-4-14(15)19(34)27-16)20(35)13-8-10-32(11-9-13)18-7-6-17-28-29-21(22(23,24)25)33(17)30-18/h2-7,13H,8-12H2,1H3,(H,26,27,34)
InChI Key:
VDFADDDQDZVPGN-UHFFFAOYSA-N
SMILES:
O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C)C1CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F
Properties
Complexity:
847  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.174g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
486.459g/mol
Monoisotopic Mass:
486.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties