2-(3-Cyclopropyl-4-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid - CAS 937606-50-3
Catalog: |
BB047549 |
Product Name: |
2-(3-Cyclopropyl-4-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid |
CAS: |
937606-50-3 |
Synonyms: |
[3-cyclopropyl-4-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid; 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[5,4-b]pyridinyl]acetic acid |
IUPAC Name: | 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
Description: | 2-(3-Cyclopropyl-4-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid (CAS# 937606-50-3 ) is a useful research chemical. |
Molecular Weight: | 311.31 |
Molecular Formula: | C17H14FN3O2 |
Canonical SMILES: | C1CC1C2=NN(C3=NC=CC(=C23)C4=CC=C(C=C4)F)CC(=O)O |
InChI: | InChI=1S/C17H14FN3O2/c18-12-5-3-10(4-6-12)13-7-8-19-17-15(13)16(11-1-2-11)20-21(17)9-14(22)23/h3-8,11H,1-2,9H2,(H,22,23) |
InChI Key: | RXOFCKLUEPDJMK-UHFFFAOYSA-N |
Boiling Point: | 559.0±50.0 °C at 760 mmHg |
Density: | 1.48±0.1 g/cm3 |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.10700486 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.10700486 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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