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VU6007477

CAT: 0013-GTR19210234-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210234-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VU6007477
CAS Number
2220141-46-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.67% (May vary between batches)
Smiles
O=C (NC1CCOCC1) C=2N=C3C (C=CN3C) =C (C2) CC=4C=NC (=CC4) C=5C=NN (C5) C
Molecular Formula
C24H26N6O2
Molecular Weight
430.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Methyl-4-((6-(1-methyl-1H-pyrazol-4-YL)pyridin-3-YL)methyl)-N-(tetrahydro-2H-pyran-4-YL)-1H-pyrrolo[2,3-B]pyridine-6-carboxamide
CAS Number2220141-46-6
PubChem CID137701968
IUPAC Name1-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
Molecular FormulaC24H26N6O2
Molecular Weight430.5
XLogP2.1
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity644
SMILES
CN1C=CC2=C1N=C(C=C2CC3=CN=C(C=C3)C4=CN(N=C4)C)C(=O)NC5CCOCC5
InChI
InChI=1S/C24H26N6O2/c1-29-8-5-20-17(11-16-3-4-21(25-13-16)18-14-26-30(2)15-18)12-22(28-23(20)29)24(31)27-19-6-9-32-10-7-19/h3-5,8,12-15,19H,6-7,9-11H2,1-2H3,(H,27,31)
InChIKey
OYSPYZFYHUIBOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-4-((6-(1-methyl-1H-pyrazol-4-YL)pyridin-3-YL)methyl)-N-(tetrahydro-2H-pyran-4-YL)-1H-pyrrolo[2,3-B]pyridine-6-carboxamide
CAS: 2220141-46-6
CID: 137701968
Formula: C24H26N6O2
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass430.21172409
Monoisotopic Mass430.21172409
Topological Polar Surface Area86.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity644
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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