| CAS Number | 929974-39-0 |
| Catalog Number | AG019KEB |
| Chemical Name | 6-(Pyridin-3-yl)-1-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C18H13N5O2/c24-18(25)14-7-16(13-4-2-6-20-9-13)22-17-15(14)10-21-23(17)11-12-3-1-5-19-8-12/h1-10H,11H2,(H,24,25) |
| InChI Key | RNXOXFBHXURJHO-UHFFFAOYSA-N |
| MDL Number | MFCD08729223 |
| Molecular Formula | C18H13N5O2 |
| Molecular Weight | 331.3281 |
| SMILES | OC(C1=C2C(N(N=C2)CC2=CN=CC=C2)=NC(C2=CN=CC=C2)=C1)=O |
| Synonyms | 6-(pyridin-3-yl)-1-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
929974-39-0,
6-pyridin-3-yl-1-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
AC1Q72P0,
CTK7I7200,
ZINC9118004,
AKOS034769783,
MCULE-8946444358,
NE26130,
EN300-26595,
Z98638708,
6-(pyridin-3-yl)-1-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.335g/mol |
| Monoisotopic Mass | 331.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number