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Technical details about LXE408, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Lxe408, 1799330-15-6, Chembl4748352, Lxe-408, 5-oxazolecarboxamide, n-(4-fluoro-3-(6-(3-methyl-2-pyridinyl)(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-, N-(4-fluoro-3-(6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl)-2,4-dimethyloxazole-5-carboxamide
Molecular Formula
C23H18FN7O2
Molecular Weight
443.4  g/mol
InChI Key
GNVVPYCWVLCWKV-UHFFFAOYSA-N
FDA UNII
OIK6I0DA01

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-fluoro-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
2.1.2 InChI
InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)
2.1.3 InChI Key
GNVVPYCWVLCWKV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(N=CC=C1)C2=CN3C(=NC(=N3)C4=C(C=CC(=C4)NC(=O)C5=C(N=C(O5)C)C)F)N=C2
2.2 Other Identifiers
2.2.1 UNII
OIK6I0DA01
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Lxe408

2. N-(4-fluoro-3-(6-(3-methylpyridin-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

2.3.2 Depositor-Supplied Synonyms

1. Lxe408

2. 1799330-15-6

3. Chembl4748352

4. Lxe-408

5. 5-oxazolecarboxamide, N-(4-fluoro-3-(6-(3-methyl-2-pyridinyl)(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-

6. N-(4-fluoro-3-(6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl)-2,4-dimethyloxazole-5-carboxamide

7. Unii-oik6i0da01

8. Schembl16822697

9. Bdbm50546340

10. Hy-131350

11. Cs-0133456

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 443.4 g/mol
Molecular Formula C23H18FN7O2
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass443.15060100 g/mol
Monoisotopic Mass443.15060100 g/mol
Topological Polar Surface Area111 Ų
Heavy Atom Count33
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1