[6-Cyclopropyl-4-(methoxycarbonyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid - CAS 1011396-63-6
Catalog: |
BB047878 |
Product Name: |
[6-Cyclopropyl-4-(methoxycarbonyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
CAS: |
1011396-63-6 |
Synonyms: |
2-[6-cyclopropyl-4-(methoxycarbonyl)-3-methylpyrazolo[5,4-b]pyridinyl]acetic acid |
IUPAC Name: | 2-(6-cyclopropyl-4-methoxycarbonyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetic acid |
Description: | [6-Cyclopropyl-4-(methoxycarbonyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid (CAS# 1011396-63-6 ) is a useful research chemical. |
Molecular Weight: | 289.29 |
Molecular Formula: | C14H15N3O4 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OC)CC(=O)O |
InChI: | InChI=1S/C14H15N3O4/c1-7-12-9(14(20)21-2)5-10(8-3-4-8)15-13(12)17(16-7)6-11(18)19/h5,8H,3-4,6H2,1-2H3,(H,18,19) |
InChI Key: | ACYGEGIPAJPBGM-UHFFFAOYSA-N |
Boiling Point: | 511.8±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.10625597 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.10625597 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 94.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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