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Abemaciclib Impurity 38

CAT: 1299-RM-A305038-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A305038-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2379819-70-0
Synonyms
Bis (5- ((4-ethylpiperazin-1-yl) methyl) pyridin-2-yl) amine
Molecular Formula
C24H37N7
Molecular Weight
423.61
Target Alternative Name
Abemaciclib
Product Name Synonym
Bis (5- ((4-ethylpiperazin-1-yl) methyl) pyridin-2-yl) amine

Chemical Information

L8R7FF3K8G
CAS Number2379819-70-0
PubChem CID172866624
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
Molecular FormulaC24H37N7
Molecular Weight423.6
XLogP2
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity458
SMILES
CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C=C3)CN4CCN(CC4)CC
InChI
InChI=1S/C24H37N7/c1-3-28-9-13-30(14-10-28)19-21-5-7-23(25-17-21)27-24-8-6-22(18-26-24)20-31-15-11-29(4-2)12-16-31/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3,(H,25,26,27)
InChIKey
CSQNGSLMXXLWRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L8R7FF3K8G
CAS: 2379819-70-0
CID: 172866624
Formula: C24H37N7
MW: 423.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.6
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass423.31104421
Monoisotopic Mass423.31104421
Topological Polar Surface Area50.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity458
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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