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2201066-53-5 | AGI-24512
CAS No: 2201066-53-5 Catalog No: AG01FNFJ MDL No:
Product Description
Catalog Number:
AG01FNFJ
Chemical Name:
AGI-24512
CAS Number:
2201066-53-5
Molecular Formula:
C24H24N4O2
Molecular Weight:
400.4730
IUPAC Name:
6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C24H24N4O2/c1-16-20(17-10-12-19(29)13-11-17)24(30)28-23(25-16)22(27-14-6-3-7-15-27)21(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,26,29H,3,6-7,14-15H2,1H3
InChI Key:
VFEXODVWKUOZBF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1c(C)[nH]c2n(c1=O)nc(c2N1CCCCC1)c1ccccc1
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.19g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.482g/mol
Monoisotopic Mass:
400.19g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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