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SYN1143

CAT: 0127-BUP09683-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09683-03Size:25 mg
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CAS Number
913376-84-8
Synonyms
RON-IN-1, AMG-1
Purity
=98%
Smiles
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

Chemical Information

N-[3-Fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

N-[3-fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxamide is an aromatic amide.

CAS Number913376-84-8
PubChem CID16757524
IUPAC NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
Molecular FormulaC31H29FN4O5
Molecular Weight556.6
XLogP4.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity986
SMILES
CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC)F
InChI
InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37)
InChIKey
UYMSIPINLJNNOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-Fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
CAS: 913376-84-8
CID: 16757524
Formula: C31H29FN4O5
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass556.21219820
Monoisotopic Mass556.21219820
Topological Polar Surface Area104 Ų
Heavy Atom Count41
Formal Charge0
Complexity986
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8888-50SYN1143
A22327-50SYN1143 50mg
A22327-25SYN1143 25mg
A22327-2SYN1143 2mg
A22327-100SYN1143 100mg
A22327-5SYN1143 5mg
A22327-10SYN1143 10mg
A22327-10mM-DSYN1143 10mM * 1mL in DMSO

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