3-[7-(Difluoromethyl)-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1172979-07-5
Catalog: |
BB042915 |
Product Name: |
3-[7-(Difluoromethyl)-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
CAS: |
1172979-07-5 |
Synonyms: |
3-(7-(Difluoromethyl)-5-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid; CHEMBL3487059; SBB026634; STK397286 |
IUPAC Name: | 3-[7-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Description: | 3-[7-(Difluoromethyl)-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CAS# 1172979-07-5 ) is a useful research chemical. |
Molecular Weight: | 322.27 |
Molecular Formula: | C13H12F2N6O2 |
Canonical SMILES: | CN1C=C(C=N1)C2=NC3=NC(=NN3C(=C2)C(F)F)CCC(=O)O |
InChI: | InChI=1S/C13H12F2N6O2/c1-20-6-7(5-16-20)8-4-9(12(14)15)21-13(17-8)18-10(19-21)2-3-11(22)23/h4-6,12H,2-3H2,1H3,(H,22,23) |
InChI Key: | VAJOBSVZHAFTQD-UHFFFAOYSA-N |
Complexity: | 443 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.09897997 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.09897997 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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