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PERK-IN-6

CAT: 0607-BA4412-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4412-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1337532-14-5
Form
A solid
Molecular Formula
C23H22N6O
Molecular Weight
398.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Perk-IN-6
CAS Number1337532-14-5
PubChem CID53468860
IUPAC Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(6-methyl-2-pyridinyl)ethanone
Molecular FormulaC23H22N6O
Molecular Weight398.5
XLogP2.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity631
SMILES
CC1=NC(=CC=C1)CC(=O)N2CCC3=C2C=CC(=C3)C4=CN(C5=NC=NC(=C45)N)C
InChI
InChI=1S/C23H22N6O/c1-14-4-3-5-17(27-14)11-20(30)29-9-8-16-10-15(6-7-19(16)29)18-12-28(2)23-21(18)22(24)25-13-26-23/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,24,25,26)
InChIKey
VYZYOJULVVGQRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perk-IN-6
CAS: 1337532-14-5
CID: 53468860
Formula: C23H22N6O
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass398.18550935
Monoisotopic Mass398.18550935
Topological Polar Surface Area89.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity631
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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