3-[2-Cyclopentyl-4-(difluoromethyl)-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid - CAS 1018127-70-2
Catalog: |
BB052724 |
Product Name: |
3-[2-Cyclopentyl-4-(difluoromethyl)-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid |
CAS: |
1018127-70-2 |
Synonyms: |
3-(2-Cyclopentyl-4-(difluoromethyl)-6-oxo-2H-pyrazolo[3,4-b]pyridin-7(6H)-yl)propanoic acid |
IUPAC Name: | 3-[2-cyclopentyl-4-(difluoromethyl)-6-oxopyrazolo[3,4-b]pyridin-7-yl]propanoic acid |
Molecular Weight: | 325.31 |
Molecular Formula: | C15H17F2N3O3 |
Canonical SMILES: | C1CCC(C1)N2C=C3C(=CC(=O)N(C3=N2)CCC(=O)O)C(F)F |
InChI: | InChI=1S/C15H17F2N3O3/c16-14(17)10-7-12(21)19(6-5-13(22)23)15-11(10)8-20(18-15)9-3-1-2-4-9/h7-9,14H,1-6H2,(H,22,23) |
InChI Key: | LDWMFKBNAMIFEE-UHFFFAOYSA-N |
Boiling Point: | 491.5±45.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 520 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.12379774 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.12379774 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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