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SR-0813

CAT: 0127-BUP05172-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05172-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2597186-19-9
Purity
=98%
Smiles
C(NC1CCC1)(=O)C2=CN3C(=NC(=C3)C4=CC(NS(NCCN5CCCCC5)(=O)=O)=CC=C4)C=C2

Chemical Information

N-cyclobutyl-2-(3-((N-(2-(piperidin-1-yl)ethyl)sulfamoyl)amino)phenyl)imidazo[1,2-a]pyridine-6-carboxamide
CAS Number2597186-19-9
PubChem CID155885713
IUPAC NameN-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
Molecular FormulaC25H32N6O3S
Molecular Weight496.6
XLogP3.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity811
SMILES
C1CCN(CC1)CCNS(=O)(=O)NC2=CC=CC(=C2)C3=CN4C=C(C=CC4=N3)C(=O)NC5CCC5
InChI
InChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32)
InChIKey
GPMTWAPXRJMXCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclobutyl-2-(3-((N-(2-(piperidin-1-yl)ethyl)sulfamoyl)amino)phenyl)imidazo[1,2-a]pyridine-6-carboxamide
CAS: 2597186-19-9
CID: 155885713
Formula: C25H32N6O3S
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass496.22566008
Monoisotopic Mass496.22566008
Topological Polar Surface Area116 Ų
Heavy Atom Count35
Formal Charge0
Complexity811
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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