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KDM4-IN-2 100mg

CAT: 0628-A18856-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A18856-100Size:100 mg
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CAS Number
2369607-62-3

Chemical Information

Kdm4-IN-2
CAS Number2369607-62-3
PubChem CID138393336
IUPAC Name8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Molecular FormulaC25H26N6O
Molecular Weight426.5
XLogP3.1
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity719
SMILES
C1CC2(CCN(CC2)CCC3=CN(N=C3)C4=NC=CC5=C4N=CNC5=O)C6=CC=CC=C61
InChI
InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)
InChIKey
AVFIHINZEZRGBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kdm4-IN-2
CAS: 2369607-62-3
CID: 138393336
Formula: C25H26N6O
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass426.21680947
Monoisotopic Mass426.21680947
Topological Polar Surface Area75.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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