| CAS Number | 1464091-45-9 |
| Catalog Number | AG001DZK(AGN-PC-0WD3ZO) |
| Chemical Name | Methyl 4-((1-cyclobutyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-pyrazolo[3,4-C]quinolin-3-YL)methyl)picolinate |
| IUPAC Name | methyl 4-[(1-cyclobutyl-4-oxo-6,7,8,9-tetrahydro-5H-pyrazolo[3,4-c]quinolin-3-yl)methyl]pyridine-2-carboxylate |
| InChI | InChI=1S/C22H24N4O3/c1-29-22(28)17-11-13(9-10-23-17)12-26-20-18(19(25-26)14-5-4-6-14)15-7-2-3-8-16(15)24-21(20)27/h9-11,14H,2-8,12H2,1H3,(H,24,27) |
| InChI Key | FVGFNGWVMYIEQQ-UHFFFAOYSA-N |
| MDL Number | MFCD26406740 |
| Molecular Formula | C22H24N4O3 |
| Molecular Weight | 392.4510 |
| SMILES | COC(=O)C1=NC=CC(CN2N=C(C3CCC3)C3=C2C(=O)NC2=C3CCCC2)=C1 |
| Synonyms | METHYL 4-((1-CYCLOBUTYL-4-OXO-4,5,6,7,8,9-HEXAHYDRO-3H-PYRAZOLO[3,4-C]QUINOLIN-3-YL)METHYL)PICOLINATE,
1464091-45-9,
MFCD26406740,
ZINC95831066,
AKOS022175709,
CS-W000490,
AK143046,
AS-42155,
AJ-135192,
|
| Complexity | 704 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.459g/mol |
| Monoisotopic Mass | 392.185g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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