3-Amino-5-Boc-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine - CAS 398491-64-0
Catalog: |
BB024160 |
Product Name: |
3-Amino-5-Boc-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
CAS: |
398491-64-0 |
Synonyms: |
3-amino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester; tert-butyl 3-amino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate |
IUPAC Name: | tert-butyl 3-amino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate |
Description: | 3-Amino-5-Boc-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CAS# 398491-64-0) is a building block used in chemical synthesis such in the preparation of selective bromodomain inhibitors of CRTC protein. |
Molecular Weight: | 238.29 |
Molecular Formula: | C11H18N4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)N |
InChI: | InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H3,12,13,14) |
InChI Key: | AHGNLFYXPZBDMS-UHFFFAOYSA-N |
LogP: | 1.15310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354644-A | Pyrazolopyrimidine structure compound used as DPP-IV inhibitor and application thereof | 20200304 |
KR-20210110566-A | Indole AHR inhibitors and uses thereof | 20181016 |
AU-2018375308-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
WO-2019108565-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
CN-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 20171129 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.14297583 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.14297583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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