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924898-13-5

924898-13-5 | 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carbonitrile

CAS No: 924898-13-5 Catalog No: AG00H2ID MDL No:

Product Description

Catalog Number:
AG00H2ID
Chemical Name:
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carbonitrile
CAS Number:
924898-13-5
Molecular Formula:
C22H17N5
Molecular Weight:
351.4039
IUPAC Name:
4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carbonitrile
InChI:
InChI=1S/C22H17N5/c1-14-4-2-5-19(25-14)22-21(20-6-3-11-27(20)26-22)16-9-10-24-18-8-7-15(13-23)12-17(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3
InChI Key:
JKLLRKDEWNJNFG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(ccn2)c1c2CCCn2nc1c1cccc(n1)C

Properties

Complexity:
585  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.148g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.413g/mol
Monoisotopic Mass:
351.148g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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