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GSK2795039

CAT: 0607-BA2730-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2730-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1415925-18-6
Form
A solid
Molecular Formula
C23H26N6O2S
Molecular Weight
450.56
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

N-(1-Isopropyl-3-(1-methylindolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-methyl-1H-pyrazole-3-sulfonamide
CAS Number1415925-18-6
PubChem CID71090129
IUPAC Name1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-3-sulfonamide
Molecular FormulaC23H26N6O2S
Molecular Weight450.6
XLogP2.9
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity773
SMILES
CC(C)N1C=C(C2=C(C=CN=C21)NS(=O)(=O)C3=NN(C=C3)C)C4=CC5=C(CCN5C)C=C4
InChI
InChI=1S/C23H26N6O2S/c1-15(2)29-14-18(17-6-5-16-8-11-27(3)20(16)13-17)22-19(7-10-24-23(22)29)26-32(30,31)21-9-12-28(4)25-21/h5-7,9-10,12-15H,8,11H2,1-4H3,(H,24,26)
InChIKey
FMWVTCZKCXPKFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Isopropyl-3-(1-methylindolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-methyl-1H-pyrazole-3-sulfonamide
CAS: 1415925-18-6
CID: 71090129
Formula: C23H26N6O2S
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass450.18379527
Monoisotopic Mass450.18379527
Topological Polar Surface Area93.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity773
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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