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BKI-1369

CAT: 0926-BDD43122-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BDD43122-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1951431-22-3
Smiles
NC1=C2C (N (CC3CCN (C) CC3) N=C2C4=CC=C5N=C (OCC) C=CC5=C4) =NC=N1
Molecular Formula
C23H27N7O
Molecular Weight
417.51 g/mol
Controlled
No

Chemical Information

3-(2-Ethoxyquinolin-6-yl)-1-((1-methylpiperidin-4-yl)methyl)pyrazolo(3,4-d)pyrimidin-4-amine
CAS Number1951431-22-3
PubChem CID122453014
IUPAC Name3-(2-ethoxyquinolin-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC23H27N7O
Molecular Weight417.5
XLogP3.2
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
CCOC1=NC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCN(CC5)C
InChI
InChI=1S/C23H27N7O/c1-3-31-19-7-5-16-12-17(4-6-18(16)27-19)21-20-22(24)25-14-26-23(20)30(28-21)13-15-8-10-29(2)11-9-15/h4-7,12,14-15H,3,8-11,13H2,1-2H3,(H2,24,25,26)
InChIKey
AWJAAKKEYXUCFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Ethoxyquinolin-6-yl)-1-((1-methylpiperidin-4-yl)methyl)pyrazolo(3,4-d)pyrimidin-4-amine
CAS: 1951431-22-3
CID: 122453014
Formula: C23H27N7O
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass417.22770851
Monoisotopic Mass417.22770851
Topological Polar Surface Area95 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
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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