3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide

C142H175BrClFN38O13 — CID 158393046

IUPAC3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(Br)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(Cl)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(F)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(N(C)C)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(NC)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(OC)c1
InChIInChI=1S/C25H33N7O2.C24H31N7O2.C24H30N6O3.C23H27BrN6O2.C23H27ClN6O2.C23H27FN6O2/c1-26-24(33)18-6-7-20(22(14-18)29(2)3)31-11-9-30(10-12-31)16-17-13-19-23(27-15-17)21-5-4-8-32(21)25(34)28-19;1-25-18-13-17(23(32)26-2)5-6-20(18)30-10-8-29(9-11-30)15-16-12-19-22(27-14-16)21-4-3-7-31(21)24(33)28-19;1-25-23(31)17-5-6-19(21(13-17)33-2)29-10-8-28(9-11-29)15-16-12-18-22(26-14-16)20-4-3-7-30(20)24(32)27-18;3*1-25-22(31)16-4-5-19(17(24)12-16)29-9-7-28(8-10-29)14-15-11-18-21(26-13-15)20-3-2-6-30(20)23(32)27-18/h6-7,13-15,21H,4-5,8-12,16H2,1-3H3,(H,26,33)(H,28,34);5-6,12-14,21,25H,3-4,7-11,15H2,1-2H3,(H,26,32)(H,28,33);5-6,12-14,20H,3-4,7-11,15H2,1-2H3,(H,25,31)(H,27,32);3*4-5,11-13,20H,2-3,6-10,14H2,1H3,(H,25,31)(H,27,32)
InChIKeyGXEZIPLUNBHCSG-UHFFFAOYSA-N
MW2756.57 g/mol
LogP16.35
Rot. Bonds27

About 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide

3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide (PubChem CID 158393046) has the molecular formula C142H175BrClFN38O13 and a molecular weight of 2756.57 g/mol. Its IUPAC name is 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide
PubChem CID158393046
Molecular FormulaC142H175BrClFN38O13
Molecular Weight2756.57 g/mol
Exact Mass2753.31
IUPAC Name3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(Br)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(Cl)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(F)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(N(C)C)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(NC)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(OC)c1
InChIInChI=1S/C25H33N7O2.C24H31N7O2.C24H30N6O3.C23H27BrN6O2.C23H27ClN6O2.C23H27FN6O2/c1-26-24(33)18-6-7-20(22(14-18)29(2)3)31-11-9-30(10-12-31)16-17-13-19-23(27-15-17)21-5-4-8-32(21)25(34)28-19;1-25-18-13-17(23(32)26-2)5-6-20(18)30-10-8-29(9-11-30)15-16-12-19-22(27-14-16)21-4-3-7-31(21)24(33)28-19;1-25-23(31)17-5-6-19(21(13-17)33-2)29-10-8-28(9-11-29)15-16-12-18-22(26-14-16)20-4-3-7-30(20)24(32)27-18;3*1-25-22(31)16-4-5-19(17(24)12-16)29-9-7-28(8-10-29)14-15-11-18-21(26-13-15)20-3-2-6-30(20)23(32)27-18/h6-7,13-15,21H,4-5,8-12,16H2,1-3H3,(H,26,33)(H,28,34);5-6,12-14,21,25H,3-4,7-11,15H2,1-2H3,(H,26,32)(H,28,33);5-6,12-14,20H,3-4,7-11,15H2,1-2H3,(H,25,31)(H,27,32);3*4-5,11-13,20H,2-3,6-10,14H2,1H3,(H,25,31)(H,27,32)
InChIKeyGXEZIPLUNBHCSG-UHFFFAOYSA-N
XLogP16.35
TPSA509.36 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.57
LogP ≤ 516.35
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide (CID 158393046) is 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide is CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(Br)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(Cl)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(F)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(N(C)C)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(NC)c1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)N3CCCC43)CC2)c(OC)c1.
What is the InChIKey of 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide?
The InChIKey is GXEZIPLUNBHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2.C24H31N7O2.C24H30N6O3.C23H27BrN6O2.C23H27ClN6O2.C23H27FN6O2/c1-26-24(33)18-6-7-20(22(14-18)29(2)3)31-11-9-30(10-12-31)16-17-13-19-23(27-15-17)21-5-4-8-32(21)25(34)28-19;1-25-18-13-17(23(32)26-2)5-6-20(18)30-10-8-29(9-11-30)15-16-12-19-22(27-14-16)21-4-3-7-31(21)24(33)28-19;1-25-23(31)17-5-6-19(21(13-17)33-2)29-10-8-28(9-11-29)15-16-12-18-22(26-14-16)20-4-3-7-30(20)24(32)27-18;3*1-25-22(31)16-4-5-19(17(24)12-16)29-9-7-28(8-10-29)14-15-11-18-21(26-13-15)20-3-2-6-30(20)23(32)27-18/h6-7,13-15,21H,4-5,8-12,16H2,1-3H3,(H,26,33)(H,28,34);5-6,12-14,21,25H,3-4,7-11,15H2,1-2H3,(H,26,32)(H,28,33);5-6,12-14,20H,3-4,7-11,15H2,1-2H3,(H,25,31)(H,27,32);3*4-5,11-13,20H,2-3,6-10,14H2,1H3,(H,25,31)(H,27,32).
What are the key properties of 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide?
3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide has a molecular weight of 2756.57 g/mol, XLogP of 16.35, 27 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-(dimethylamino)-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-fluoro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;3-methoxy-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 158393046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).