5-[5-Bromopyrrolo[2,3-b]pyridin-3-yl]-N-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine - CAS 1210437-59-4
Catalog: |
BB005024 |
Product Name: |
5-[5-Bromopyrrolo[2,3-b]pyridin-3-yl]-N-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine |
CAS: |
1210437-59-4 |
Synonyms: |
5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine; 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine |
Description: | 5-[5-Bromopyrrolo[2,3-b]pyridin-3-yl]-N-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine (CAS# 1210437-59-4 ) is a useful research chemical. |
Molecular Weight: | 400.23 |
Molecular Formula: | C17H14BrN5O2 |
Canonical SMILES: | COC1=CC=CC(=C1)CNC2=NN=C(O2)C3=CNC4=NC=C(C=C34)Br |
InChI: | InChI=1S/C17H14BrN5O2/c1-24-12-4-2-3-10(5-12)7-21-17-23-22-16(25-17)14-9-20-15-13(14)6-11(18)8-19-15/h2-6,8-9H,7H2,1H3,(H,19,20)(H,21,23) |
InChI Key: | MTANWHPMHVTCCO-UHFFFAOYSA-N |
LogP: | 4.06910 |
Publication Number | Title | Priority Date |
EP-2303879-B1 | 7-azaindole derivatives | 20080818 |
US-2011166175-A1 | 7-azaindole derivatives | 20080818 |
US-8466170-B2 | 7-azaindole derivatives | 20080818 |
WO-2010020308-A1 | 7-azaindole derivatives | 20080818 |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 399.03309 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 399.03309 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 88.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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