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Zavegepant Impurity 2

CAT: 1299-RM-Z456002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-Z456002-01Size:10 mg
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CAS Number
635712-42-4
Synonyms
Methyl 2-amino-3- (7-methyl-1H-indazol-5-yl) propanoate
Molecular Formula
C12H15N3O2
Molecular Weight
233.27
Target Alternative Name
Zavegepant
Product Name Synonym
Methyl 2-amino-3- (7-methyl-1H-indazol-5-yl) propanoate

Chemical Information

methyl 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
CAS Number635712-42-4
PubChem CID58864334
IUPAC Namemethyl 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
Molecular FormulaC12H15N3O2
Molecular Weight233.27
XLogP1.2
Topological Polar Surface Area81
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity285
SMILES
CC1=CC(=CC2=C1NN=C2)CC(C(=O)OC)N
InChI
InChI=1S/C12H15N3O2/c1-7-3-8(5-10(13)12(16)17-2)4-9-6-14-15-11(7)9/h3-4,6,10H,5,13H2,1-2H3,(H,14,15)
InChIKey
IWYBATOKIPKBEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
CAS: 635712-42-4
CID: 58864334
Formula: C12H15N3O2
MW: 233.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.27
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass233.116426730
Monoisotopic Mass233.116426730
Topological Polar Surface Area81 Ų
Heavy Atom Count17
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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