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LRRK2-IN-7

CAT: 0607-BA3691-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3691-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2307277-93-4
Form
A solid
Molecular Formula
C24H26N6O
Molecular Weight
414.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Lrrk2-IN-7
CAS Number2307277-93-4
PubChem CID156493868
IUPAC Name(2S)-2-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
Molecular FormulaC24H26N6O
Molecular Weight414.5
XLogP3.2
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity773
SMILES
CC(C)([C@@H]1CCN(C1)C2=NC=NC(=C2)N3C4=C(C=CC(=C4)[C@@]5(CC56CC6)C#N)C=N3)O
InChI
InChI=1S/C24H26N6O/c1-22(2,31)18-5-8-29(12-18)20-10-21(27-15-26-20)30-19-9-17(4-3-16(19)11-28-30)24(14-25)13-23(24)6-7-23/h3-4,9-11,15,18,31H,5-8,12-13H2,1-2H3/t18-,24-/m1/s1
InChIKey
JCQABEJXHUSDMF-HOYKHHGWSA-N
Chemical Structure
2D Structure
2D structure of Lrrk2-IN-7
CAS: 2307277-93-4
CID: 156493868
Formula: C24H26N6O
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass414.21680947
Monoisotopic Mass414.21680947
Topological Polar Surface Area90.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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