CID 52485392
PubChem CID
52485392
Structure
Molecular Formula
Status
Non-live
Molecular Weight
382.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(3R)-5-N-[5-[2-hydroxyethyl(methyl)amino]pyridin-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
InChI=1S/C19H22N6O3/c1-24(9-10-26)14-7-8-17(21-12-14)22-19(28)15-11-16(18(20)27)25(23-15)13-5-3-2-4-6-13/h2-8,12,16,26H,9-11H2,1H3,(H2,20,27)(H,21,22,28)/t16-/m1/s1
QALWLGTVLPKLAU-MRXNPFEDSA-N
CN(CCO)C1=CN=C(C=C1)NC(=O)C2=NN([C@H](C2)C(=O)N)C3=CC=CC=C3
C19H22N6O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
382.4 g/mol
Property Name
XLogP3-AA
Property Value
0.5
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
382.17533859 g/mol
Property Name
Monoisotopic Mass
Property Value
382.17533859 g/mol
Property Name
Topological Polar Surface Area
Property Value
124 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
592
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
CONTENTS