N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine - CAS 1841079-87-5
Catalog: |
BB014117 |
Product Name: |
N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine |
CAS: |
1841079-87-5 |
Synonyms: |
N-[3-(1-pyrrolo[2,3-c]pyridinyl)-5-isoquinolinyl]carbamic acid tert-butyl ester; tert-butyl N-(3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate |
IUPAC Name: | tert-butyl N-(3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate |
Description: | N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine (CAS# 1841079-87-5 ) is a useful research chemical. |
Molecular Weight: | 360.41 |
Molecular Formula: | C21H20N4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC2=CN=C(C=C21)N3C=CC4=C3C=NC=C4 |
InChI: | InChI=1S/C21H20N4O2/c1-21(2,3)27-20(26)24-17-6-4-5-15-12-23-19(11-16(15)17)25-10-8-14-7-9-22-13-18(14)25/h4-13H,1-3H3,(H,24,26) |
InChI Key: | AVEOOGFFDUOPCT-UHFFFAOYSA-N |
LogP: | 4.99370 |
Publication Number | Title | Priority Date |
AU-2015274843-A1 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
AU-2015274843-B2 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
CA-2948528-A1 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
EP-3154970-A2 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
EP-3154970-B1 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
Complexity: | 535 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.15862589 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.15862589 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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