2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid - CAS 1006445-13-1
Catalog: |
BB047563 |
Product Name: |
2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid |
CAS: |
1006445-13-1 |
Synonyms: |
[3-cyclopropyl-4-(difluoromethyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
IUPAC Name: | 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
Description: | 2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid (CAS# 1006445-13-1 ) is a useful research chemical. |
Molecular Weight: | 361.35 |
Molecular Formula: | C17H17F2N5O2 |
Canonical SMILES: | CC1=NN(C=C1C2=NC3=C(C(=C2)C(F)F)C(=NN3CC(=O)O)C4CC4)C |
InChI: | InChI=1S/C17H17F2N5O2/c1-8-11(6-23(2)21-8)12-5-10(16(18)19)14-15(9-3-4-9)22-24(7-13(25)26)17(14)20-12/h5-6,9,16H,3-4,7H2,1-2H3,(H,25,26) |
InChI Key: | JCUUELNZXMNYDD-UHFFFAOYSA-N |
Boiling Point: | 599.3±50.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 549 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 361.13503113 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 361.13503113 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 85.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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