Chemical ID: 5986443

Cc1ccc(c(c1)C)n2c(cc(n2)c3cccn3C)C(=O)N4CCN(CC4)C(=O)C
Chemical ID:
5986443
Name [?]:
1-[4-[2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3cccn3C)C(=O)N4CCN(CC4)C(=O)C
InChi [?]:
InChI=1/C23H27N5O2/c1-16-7-8-20(17(2)14-16)28-22(15-19(24-28)21-6-5-9-25(21)4)23(30)27-12-10-26(11-13-27)18(3)29/h5-9,14-15H,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,30,19,16,15,3,4,17,24,26,23,27,7,11,2,6,28,12,5,14,10,20,13,18,25,22,9,29,21/E:(10,11)(12,13)/rA:30nCCCCCCCCNCCCNCCCCNCCONCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s18;s10;d20;s20;s22;s23;s24;s25;s22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N5O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.9231
Area:612.27
Solvation:-4.38363
Coulombic:-43.1802
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.493
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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