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Technical details about Risvodetinib, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Risvodetinib [inn], 2qg2b2xw2i, Schembl18183821, Gtpl12383, Bdbm481128, Us10906896, cpd 809
Molecular Formula
C33H34N8O2
Molecular Weight
574.7  g/mol
InChI Key
ADGOPPKEIZXKAZ-UHFFFAOYSA-N
FDA UNII
2QG2B2XW2I

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)pyridin-3-yl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
2.1.2 InChI
InChI=1S/C33H34N8O2/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)
2.1.3 InChI Key
ADGOPPKEIZXKAZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CC(=CN=C5)C6=C(C=NO6)C
2.2 Other Identifiers
2.2.1 UNII
2QG2B2XW2I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Risvodetinib [inn]

2. 2qg2b2xw2i

3. Schembl18183821

4. Gtpl12383

5. Bdbm481128

6. Us10906896, Cpd 809

7. Hy-148794

8. Cs-0641136

9. Compound 809 [us20200046699a1]

10. 2031185-00-7

11. N-[4-methyl-3-({4-[5-(4-methyl-1,2-oxazol-5-yl)pyridin-3-yl]pyrimidin- 2-yl}amino)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

2.4 Create Date
2016-12-08
3 Chemical and Physical Properties
Molecular Weight 574.7 g/mol
Molecular Formula C33H34N8O2
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area112
Heavy Atom Count43
Formal Charge0
Complexity879
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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