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2D Structure
Also known as: Schembl21425530, Hy-153920, Cs-0866823
Molecular Formula
C22H24N6O3
Molecular Weight
420.5  g/mol
InChI Key
NXFPMDWYDKHFMM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-oxopyrrolidine-1-carboxamide
2.1.2 InChI
InChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)
2.1.3 InChI Key
NXFPMDWYDKHFMM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=N1)NC(=O)N2CCC(C2=O)(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl21425530

2. Hy-153920

3. Cs-0866823

2.3 Create Date
2019-11-02
3 Chemical and Physical Properties
Molecular Weight 420.5 g/mol
Molecular Formula C22H24N6O3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area102
Heavy Atom Count31
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1