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1679330-37-0

1679330-37-0 | 3-​(2-​Methyl-​4-​pyrimidinyl)​-​1-​(phenylmethyl)​-1H-​pyrrolo[2,​3-​c]​pyridine

CAS No: 1679330-37-0 Catalog No: AG01E2NZ MDL No:

Product Description

Catalog Number:
AG01E2NZ
Chemical Name:
3-​(2-​Methyl-​4-​pyrimidinyl)​-​1-​(phenylmethyl)​-1H-​pyrrolo[2,​3-​c]​pyridine
CAS Number:
1679330-37-0
Molecular Formula:
C19H16N4
Molecular Weight:
300.3571
IUPAC Name:
1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3
InChI Key:
CZCUSHJQJWKYTD-UHFFFAOYSA-N
SMILES:
Cc1nccc(n1)c1cn(c2c1ccnc2)Cc1ccccc1

Properties

Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.137g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.365g/mol
Monoisotopic Mass:
300.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

Title Journal
Discovery and optimization of a novel series of Dyrk1B kinase inhibitors to explore a MEK resistance hypothesis. Journal of medicinal chemistry 20150326

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