3-(2-Benzyl-4-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-7(6H)-yl)propanoic acid - CAS 1018165-30-4
Catalog: |
BB052745 |
Product Name: |
3-(2-Benzyl-4-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-7(6H)-yl)propanoic acid |
CAS: |
1018165-30-4 |
Synonyms: |
3-(2-Benzyl-4-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-7(6H)-yl)propanoicacid |
IUPAC Name: | 3-(2-benzyl-4-methyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid |
Molecular Weight: | 311.33 |
Molecular Formula: | C17H17N3O3 |
Canonical SMILES: | CC1=CC(=O)N(C2=NN(C=C12)CC3=CC=CC=C3)CCC(=O)O |
InChI: | InChI=1S/C17H17N3O3/c1-12-9-15(21)20(8-7-16(22)23)17-14(12)11-19(18-17)10-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H,22,23) |
InChI Key: | AOUUHCGLVLMLNX-UHFFFAOYSA-N |
Boiling Point: | 542.0±50.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Appearance: | White Solid |
Complexity: | 499 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.12699141 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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