Methyl 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate - CAS 163213-38-5
Catalog: |
BB011960 |
Product Name: |
Methyl 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate |
CAS: |
163213-38-5 |
Synonyms: |
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid methyl ester; methyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate |
IUPAC Name: | methyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate |
Description: | Methyl 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate (CAS# 163213-38-5) is a reagent in the preparation of pyrazolodiazepine fibrinogen receptor antagonist. |
Molecular Weight: | 209.20 |
Molecular Formula: | C9H11N3O3 |
Canonical SMILES: | COC(=O)C1=NN2CCCNC(=O)C2=C1 |
InChI: | InChI=1S/C9H11N3O3/c1-15-9(14)6-5-7-8(13)10-3-2-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13) |
InChI Key: | VWXQPZYUOQXYLQ-UHFFFAOYSA-N |
Solubility: | 24.4 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Solid |
MDL: | MFCD02570753 |
LogP: | 0.13200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2005277283-A1 | Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | 20040823 |
CA-2576465-A1 | Fused triazole derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | 20040823 |
EP-1784188-B1 | Fused triazole derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | 20040823 |
US-2007208010-A1 | Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | 20040823 |
US-7625888-B2 | Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | 20040823 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.08004122 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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