7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione - CAS 2252403-82-8
Catalog: |
BB054159 |
Product Name: |
7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
CAS: |
2252403-82-8 |
Synonyms: |
7-chloro-6-fluoro-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidine-2,4-dione; Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 7-chloro-6-fluoro-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]- |
IUPAC Name: | 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4-dione |
Molecular Weight: | 348.76 |
Molecular Formula: | C16H14ClFN4O2 |
Canonical SMILES: | CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=O)NC2=O)F)Cl |
InChI: | InChI=1S/C16H14ClFN4O2/c1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14/h4-7H,1-3H3,(H,21,23,24) |
InChI Key: | OXJTVPMAMRSGNT-UHFFFAOYSA-N |
Purity: | ≥95% |
Density: | 1.4±0.1 g/cm3 |
Storage: | Store at 2-8°C |
Complexity: | 520 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.0789316 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 348.0789316 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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