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Home > Pyridines > 339010-28-5
339010-28-5 | 5-benzoyl-2-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile
CAS No: 339010-28-5 Catalog No: AG00IVH6 MDL No:MFCD00171824
Product Description
Catalog Number:
AG00IVH6
Chemical Name:
5-benzoyl-2-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile
CAS Number:
339010-28-5
Molecular Formula:
C21H19N5O
Molecular Weight:
357.4085
MDL Number:
MFCD00171824
IUPAC Name:
5-benzoyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C21H19N5O/c22-15-17-14-18(20(27)16-6-2-1-3-7-16)24-21(17)26-12-10-25(11-13-26)19-8-4-5-9-23-19/h1-9,14,24H,10-13H2
InChI Key:
HFYJLGRCXIJVDG-UHFFFAOYSA-N
SMILES:
N#Cc1cc([nH]c1N1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.417g/mol
Monoisotopic Mass:
357.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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