CID 25844770
PubChem CID
25844770
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
498.5 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
2-[4-[(4S)-1-(4,6-dimethylpyrimidin-2-yl)-6-oxo-3-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
InChI=1S/C27H26N6O4/c1-15-11-16(2)30-27(29-15)33-26-24(25(32-33)17-7-5-4-6-8-17)19(13-23(35)31-26)18-9-10-20(21(12-18)36-3)37-14-22(28)34/h4-12,19,32H,13-14H2,1-3H3,(H2,28,34)/t19-/m0/s1
LZJIUKVWGIYAND-IBGZPJMESA-N
CC1=CC(=NC(=N1)N2C3=NC(=O)C[C@H](C3=C(N2)C4=CC=CC=C4)C5=CC(=C(C=C5)OCC(=O)N)OC)C
C27H26N6O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
498.5 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
498.20155333 g/mol
Property Name
Monoisotopic Mass
Property Value
498.20155333 g/mol
Property Name
Topological Polar Surface Area
Property Value
132 A^2
Property Name
Heavy Atom Count
Property Value
37
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
922
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS