2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine

C120H174N30O14 — CID 159039669

About 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine

2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine (PubChem CID 159039669) has the molecular formula C120H174N30O14 and a molecular weight of 2260.91 g/mol. Its IUPAC name is 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine.

Molecular Properties

• Compound Name: 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine
• PubChem CID: 159039669
• Molecular Formula: C120H174N30O14
• Molecular Weight: 2260.91 g/mol
• Exact Mass: 2259.38
• IUPAC Name: 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine
• SMILES: C.C.C.C.CC(C(=O)O)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2)CC1.CN1CCN(CCO)CC1.CN1CCN(CCOc2ccc(N3CCN(C(=O)C(C)(c4ccccc4)n4ncc5c4nc(N)n4nc(-c6ccco6)nc54)CC3)cc2)CC1.CN1CCN(CCOc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1.CN1CCN(CCOc2ccc(N3CCNCC3)cc2)CC1
• InChI: InChI=1S/C36H41N11O3.C22H36N4O3.C19H15N7O3.C17H28N4O.C15H22N2O3.C7H16N2O.4CH4/c1-36(26-7-4-3-5-8-26,47-33-29(25-38-47)32-39-31(30-9-6-23-50-30)41-46(32)35(37)40-33)34(48)45-20-18-44(19-21-45)27-10-12-28(13-11-27)49-24-22-43-16-14-42(2)15-17-43;1-22(2,3)29-21(27)26-15-13-25(14-16-26)19-5-7-20(8-6-19)28-18-17-24-11-9-23(4)10-12-24;1-19(17(27)28,11-6-3-2-4-7-11)26-16-12(10-21-26)15-22-14(13-8-5-9-29-13)24-25(15)18(20)23-16;1-19-10-12-20(13-11-19)14-15-22-17-4-2-16(3-5-17)21-8-6-18-7-9-21;1-15(2,3)20-14(19)17-10-8-16(9-11-17)12-4-6-13(18)7-5-12;1-8-2-4-9(5-3-8)6-7-10;;;;/h3-13,23,25H,14-22,24H2,1-2H3,(H2,37,40);5-8H,9-18H2,1-4H3;2-10H,1H3,(H2,20,23)(H,27,28);2-5,18H,6-15H2,1H3;4-7,18H,8-11H2,1-3H3;10H,2-7H2,1H3;4*1H4
• InChIKey: JVWZUWPVSFKVRA-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 435.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.91
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine?

The IUPAC name of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine (CID 159039669) is 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine.

What is the SMILES notation for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine?

The canonical SMILES for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine is C.C.C.C.CC(C(=O)O)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2)CC1.CN1CCN(CCO)CC1.CN1CCN(CCOc2ccc(N3CCN(C(=O)C(C)(c4ccccc4)n4ncc5c4nc(N)n4nc(-c6ccco6)nc54)CC3)cc2)CC1.CN1CCN(CCOc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1.CN1CCN(CCOc2ccc(N3CCNCC3)cc2)CC1.

What is the InChIKey of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine?

The InChIKey is JVWZUWPVSFKVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N11O3.C22H36N4O3.C19H15N7O3.C17H28N4O.C15H22N2O3.C7H16N2O.4CH4/c1-36(26-7-4-3-5-8-26,47-33-29(25-38-47)32-39-31(30-9-6-23-50-30)41-46(32)35(37)40-33)34(48)45-20-18-44(19-21-45)27-10-12-28(13-11-27)49-24-22-43-16-14-42(2)15-17-43;1-22(2,3)29-21(27)26-15-13-25(14-16-26)19-5-7-20(8-6-19)28-18-17-24-11-9-23(4)10-12-24;1-19(17(27)28,11-6-3-2-4-7-11)26-16-12(10-21-26)15-22-14(13-8-5-9-29-13)24-25(15)18(20)23-16;1-19-10-12-20(13-11-19)14-15-22-17-4-2-16(3-5-17)21-8-6-18-7-9-21;1-15(2,3)20-14(19)17-10-8-16(9-11-17)12-4-6-13(18)7-5-12;1-8-2-4-9(5-3-8)6-7-10;;;;/h3-13,23,25H,14-22,24H2,1-2H3,(H2,37,40);5-8H,9-18H2,1-4H3;2-10H,1H3,(H2,20,23)(H,27,28);2-5,18H,6-15H2,1H3;4-7,18H,8-11H2,1-3H3;10H,2-7H2,1H3;4*1H4.

What are the key properties of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine?

2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine has a molecular weight of 2260.91 g/mol, XLogP of 12.53, 26 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylate;methane;2-(4-methylpiperazin-1-yl)ethanol;1-methyl-4-[2-(4-piperazin-1-ylphenoxy)ethyl]piperazine is sourced from PubChem (CID 159039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).