Products for Research Use Only
RegisterLogin

CAY10682

CAT: 0013-GTR19192135-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19192135-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CAY10682
CAS Number
1542066-74-9
Field of Research
Cell Biology, Signal Transduction
Smiles
C (CCN1C=CN=C1) N2C (C3=C (N (CC4=CC=C (F) C=C4) N=C3C5=CC=CC=C5) C2=O) C6=CC=C (Br) C=C6
Molecular Formula
C30H25BrFN5O
Molecular Weight
570.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(3-(1H-imidazol-1-yl)propyl)-4-(4-bromophenyl)-1-(4-fluorobenzyl)-3-phenyl-4,5-dihydropyrrolo(3,4-c)pyrazol-6(1H)-one

has antineoplastic activity; structure in first source

CAS Number1542066-74-9
PubChem CID90401380
IUPAC Name4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
Molecular FormulaC30H25BrFN5O
Molecular Weight570.5
XLogP5.4
Topological Polar Surface Area56
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity783
SMILES
C1=CC=C(C=C1)C2=NN(C3=C2C(N(C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)Br)CC6=CC=C(C=C6)F
InChI
InChI=1S/C30H25BrFN5O/c31-24-11-9-23(10-12-24)28-26-27(22-5-2-1-3-6-22)34-37(19-21-7-13-25(32)14-8-21)29(26)30(38)36(28)17-4-16-35-18-15-33-20-35/h1-3,5-15,18,20,28H,4,16-17,19H2
InChIKey
WBTRUQGSTZSFSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(1H-imidazol-1-yl)propyl)-4-(4-bromophenyl)-1-(4-fluorobenzyl)-3-phenyl-4,5-dihydropyrrolo(3,4-c)pyrazol-6(1H)-one
CAS: 1542066-74-9
CID: 90401380
Formula: C30H25BrFN5O
MW: 570.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass569.12265
Monoisotopic Mass569.12265
Topological Polar Surface Area56 Ų
Heavy Atom Count38
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19232845-01CAY10632
GTR19169962-01CAY10602
GTR19159537-01CAY10602
GTR19192146-01CAY10681
GTR19191821-01CAY10685
GTR19190693-01CAY10680
GTR19212183-01CAY10581
GTR19191827-01CAY10592
GTR19191693-01CAY10487
GTR19191423-01CAY10502

Alternative Products

CatalogName
T36192-01CAY10682

Popular Products