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1174046-72-0 | 3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-1,4-dihydro-4-oxo-
CAS No: 1174046-72-0 Catalog No: AG000E92 MDL No:MFCD18206786
Product Description
Catalog Number:
AG000E92
Chemical Name:
3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-1,4-dihydro-4-oxo-
CAS Number:
1174046-72-0
Molecular Formula:
C23H15ClF2N4O3
Molecular Weight:
468.8400
MDL Number:
MFCD18206786
IUPAC Name:
N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C23H15ClF2N4O3/c24-20-19(7-8-29-22(20)27)33-18-6-5-14(9-17(18)26)30-23(32)16-11-28-10-15(21(16)31)12-1-3-13(25)4-2-12/h1-11H,(H2,27,29)(H,28,31)(H,30,32)
InChI Key:
PDYXPCKITKHFOZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1c[nH]cc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.08g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
468.845g/mol
Monoisotopic Mass:
468.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
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