200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 115931-65-2
115931-65-2 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,5-dihydro-4-[2-[4-(phenylmethyl)-1-piperazinyl]acetyl]-7-[3-(trifluoromethyl)phenyl]-
CAS No: 115931-65-2 Catalog No: AG000H58 MDL No:
Product Description
Catalog Number:
AG000H58
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,5-dihydro-4-[2-[4-(phenylmethyl)-1-piperazinyl]acetyl]-7-[3-(trifluoromethyl)phenyl]-
CAS Number:
115931-65-2
Molecular Formula:
C27H25F3N6O
Molecular Weight:
506.5222
IUPAC Name:
4-[2-(4-benzylpiperazin-1-yl)acetyl]-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C27H25F3N6O/c28-27(29,30)23-8-4-7-21(15-23)24-9-10-35(26-22(16-31)17-32-36(24)26)25(37)19-34-13-11-33(12-14-34)18-20-5-2-1-3-6-20/h1-9,15,17H,10-14,18-19H2
InChI Key:
KVRVFYBZHKPBDB-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1N(CC=C2c1cccc(c1)C(F)(F)F)C(=O)CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.204g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.533g/mol
Monoisotopic Mass:
506.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.