6-Ethyl-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1120284-75-4
Catalog: |
BB052960 |
Product Name: |
6-Ethyl-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1120284-75-4 |
Synonyms: |
6-ethyl-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 311.33 |
Molecular Formula: | C17H17N3O3 |
Canonical SMILES: | CCC1=CC(=C2C=NN(C2=N1)CC3=CC=C(C=C3)OC)C(=O)O |
InChI: | InChI=1S/C17H17N3O3/c1-3-12-8-14(17(21)22)15-9-18-20(16(15)19-12)10-11-4-6-13(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,21,22) |
InChI Key: | QPNFTSLBXWRIAS-UHFFFAOYSA-N |
Complexity: | 412 |
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: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.12699141 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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