1 2D Structure

2D Structure

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 Formula	C₂₀H₁₅ClF₂N₆O₄S
Molecular Weight	508.9 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	136
Heavy Atom Count	34
Formal Charge	0
Complexity	838
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

HC-7366

HC-7366

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