| CAS Number | 1628618-35-8 |
| Catalog Number | AG001THK(AGN-PC-0WCY4H) |
| Chemical Name | 2-(2-([1,2,4]Triazolo[1,5-a]pyridin-2-yl)ethyl)-7-chloro-5-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-1,6(5H)-dione |
| IUPAC Name | 7-chloro-5-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3H-pyrrolo[3,4-c]pyridine-1,6-dione |
| InChI | InChI=1S/C16H14ClN5O2/c1-20-8-10-9-21(15(23)13(10)14(17)16(20)24)7-5-11-18-12-4-2-3-6-22(12)19-11/h2-4,6,8H,5,7,9H2,1H3 |
| InChI Key | SHVQBYKENDMYEY-UHFFFAOYSA-N |
| MDL Number | MFCD27946251 |
| Molecular Formula | C16H14ClN5O2 |
| Molecular Weight | 343.7677 |
| SMILES | O=C1N(CCc2nc3n(n2)cccc3)Cc2c1c(Cl)c(=O)n(c2)C |
| Synonyms | 2-(2-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL)ETHYL)-7-CHLORO-5-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-1,6(5H)-DIONE,
1628618-35-8,
SCHEMBL16053567,
SHVQBYKENDMYEY-UHFFFAOYSA-N,
CS-D1333,
MFCD27991330,
ZINC97758582,
AK200955,
7-Chloro-5-methyl-2-(2-[1,2,4]triazolo[1,5-a]pyridin-2-yl-ethyl)-3,5-dihydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione,
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| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.771g/mol |
| Monoisotopic Mass | 343.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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