11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one

C97H87N21O9 — CID 157420890

About 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one

11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one (PubChem CID 157420890) has the molecular formula C97H87N21O9 and a molecular weight of 1690.90 g/mol. Its IUPAC name is 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one.

Molecular Properties

• Compound Name: 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
• PubChem CID: 157420890
• Molecular Formula: C97H87N21O9
• Molecular Weight: 1690.90 g/mol
• Exact Mass: 1689.70
• IUPAC Name: 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
• SMILES: CC(=O)Nc1n[nH]c2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4ccccc4c3c12.COc1ccc(-c2nc3n[nH]c(C)c3c3c2c(=O)[nH]c2ccc(N4CCNCC4)cc23)cc1.Cc1[nH]nc2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4ccccc4c3c12.Cc1c[nH]c2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4cc(N5CCN(C6CCN(C)CC6)CC5)ccc4c3c12
• InChI: InChI=1S/C31H34N6O2.C25H24N6O2.C21H15N5O3.C20H14N4O2/c1-19-18-32-30-26(19)27-24-8-5-22(37-15-13-36(14-16-37)21-9-11-35(2)12-10-21)17-25(24)33-31(39)28(27)29(34-30)20-3-6-23(38)7-4-20;1-14-20-21-18-13-16(31-11-9-26-10-12-31)5-8-19(18)27-25(32)22(21)23(28-24(20)30-29-14)15-3-6-17(33-2)7-4-15;1-10(27)22-19-17-15-13-4-2-3-5-14(13)23-21(29)16(15)18(24-20(17)26-25-19)11-6-8-12(28)9-7-11;1-10-15-16-13-4-2-3-5-14(13)21-20(26)17(16)18(22-19(15)24-23-10)11-6-8-12(25)9-7-11/h3-8,17-18,21,38H,9-16H2,1-2H3,(H,32,34)(H,33,39);3-8,13,26H,9-12H2,1-2H3,(H,27,32)(H,28,29,30);2-9,28H,1H3,(H,23,29)(H2,22,24,25,26,27);2-9,25H,1H3,(H,21,26)(H,22,23,24)
• InChIKey: BPJSZNSUVJVCSO-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 408.84 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.90
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

The IUPAC name of 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one (CID 157420890) is 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one.

What is the SMILES notation for 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

The canonical SMILES for 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one is CC(=O)Nc1n[nH]c2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4ccccc4c3c12.COc1ccc(-c2nc3n[nH]c(C)c3c3c2c(=O)[nH]c2ccc(N4CCNCC4)cc23)cc1.Cc1[nH]nc2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4ccccc4c3c12.Cc1c[nH]c2nc(-c3ccc(O)cc3)c3c(=O)[nH]c4cc(N5CCN(C6CCN(C)CC6)CC5)ccc4c3c12.

What is the InChIKey of 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

The InChIKey is BPJSZNSUVJVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2.C25H24N6O2.C21H15N5O3.C20H14N4O2/c1-19-18-32-30-26(19)27-24-8-5-22(37-15-13-36(14-16-37)21-9-11-35(2)12-10-21)17-25(24)33-31(39)28(27)29(34-30)20-3-6-23(38)7-4-20;1-14-20-21-18-13-16(31-11-9-26-10-12-31)5-8-19(18)27-25(32)22(21)23(28-24(20)30-29-14)15-3-6-17(33-2)7-4-15;1-10(27)22-19-17-15-13-4-2-3-5-14(13)23-21(29)16(15)18(24-20(17)26-25-19)11-6-8-12(28)9-7-11;1-10-15-16-13-4-2-3-5-14(13)21-20(26)17(16)18(22-19(15)24-23-10)11-6-8-12(25)9-7-11/h3-8,17-18,21,38H,9-16H2,1-2H3,(H,32,34)(H,33,39);3-8,13,26H,9-12H2,1-2H3,(H,27,32)(H,28,29,30);2-9,28H,1H3,(H,23,29)(H2,22,24,25,26,27);2-9,25H,1H3,(H,21,26)(H,22,23,24).

What are the key properties of 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one?

11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one has a molecular weight of 1690.90 g/mol, XLogP of 14.72, 9 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-hydroxyphenyl)-16-methyl-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one;N-[11-(4-hydroxyphenyl)-9-oxo-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13(17),15-heptaen-16-yl]acetamide;11-(4-methoxyphenyl)-16-methyl-4-piperazin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one is sourced from PubChem (CID 157420890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).