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2160555-53-1 | 1-(4-cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CAS No: 2160555-53-1 Catalog No: AG01EQ03 MDL No:
Product Description
Catalog Number:
AG01EQ03
Chemical Name:
1-(4-cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CAS Number:
2160555-53-1
Molecular Formula:
C22H24N4O
Molecular Weight:
360.4522
IUPAC Name:
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
InChI:
InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27)
InChI Key:
DYPZVGXELGJCHD-UHFFFAOYSA-N
SMILES:
N#CCCCCn1cc(c2c1nccc2)C(=O)NC(c1ccccc1)(C)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.195g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.461g/mol
Monoisotopic Mass:
360.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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