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Home > Indoles and Oxindole > 16571-49-6
16571-49-6 | 1H-Indole, 3-[2-(4-pyridinyl)ethyl]-
CAS No: 16571-49-6 Catalog No: AG01FNLC MDL No:
Product Description
Catalog Number:
AG01FNLC
Chemical Name:
1H-Indole, 3-[2-(4-pyridinyl)ethyl]-
CAS Number:
16571-49-6
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
IUPAC Name:
3-(2-pyridin-4-ylethyl)-1H-indole
InChI:
InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
InChI Key:
UUEYCHLWAOBOHG-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CCc1c[nH]c2c1cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. | Journal of medicinal chemistry 20050127 |
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