| CAS Number | 929975-60-0 |
| Catalog Number | AG019KH8 |
| Chemical Name | 1-cyclopentyl-4-methyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one |
| IUPAC Name | 1-cyclopentyl-4-methyl-7H-pyrazolo[3,4-b]pyridin-6-one |
| InChI | InChI=1S/C12H15N3O/c1-8-6-11(16)14-12-10(8)7-13-15(12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,16) |
| InChI Key | OWTCGDKEYSLZEF-UHFFFAOYSA-N |
| MDL Number | MFCD09336367 |
| Molecular Formula | C12H15N3O |
| Molecular Weight | 217.2670 |
| SMILES | CC1C2=C(N(C3CCCC3)N=C2)NC(=O)C=1 |
| Synonyms | 1-cyclopentyl-4-methyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one,
1-cyclopentyl-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-ol,
929975-60-0,
AC1Q2J8N,
CTK7J8415,
CTK8F3298,
ZINC12505318,
NE27485,
EN300-26931,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.272g/mol |
| Monoisotopic Mass | 217.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number