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Chemistry

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Also known as: Schembl26670577, Ex-a8760, Hc-7366, Hy-160196, Cs-0926316
Molecular Formula
C20H15ClF2N6O4S
Molecular Weight
508.9  g/mol
InChI Key
KIGXQRBUVDDSPP-UHFFFAOYSA-N

HC-7366
1 2D Structure

HC-7366

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-[3-[(5-chloro-2-methoxypyridin-3-yl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
2.1.2 InChI
InChI=1S/C20H15ClF2N6O4S/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2/h3-9,28H,1-2H3,(H,24,30)
2.1.3 InChI Key
KIGXQRBUVDDSPP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=C2C=NC(=CN2C=N1)C3=C(C=CC(=C3F)NS(=O)(=O)C4=C(N=CC(=C4)Cl)OC)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl26670577

2. Ex-a8760

3. Hc-7366

4. Hy-160196

5. Cs-0926316

2.3 Create Date
2022-08-15
3 Chemical and Physical Properties
Molecular Weight 508.9 g/mol
Molecular Formula C20H15ClF2N6O4S
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area136
Heavy Atom Count34
Formal Charge0
Complexity838
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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