4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione

C105H97Cl4N19O8 — CID 162186420

About 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione

4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione (PubChem CID 162186420) has the molecular formula C105H97Cl4N19O8 and a molecular weight of 1894.87 g/mol. Its IUPAC name is 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione.

Molecular Properties

• Compound Name: 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione
• PubChem CID: 162186420
• Molecular Formula: C105H97Cl4N19O8
• Molecular Weight: 1894.87 g/mol
• Exact Mass: 1891.65
• IUPAC Name: 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione
• SMILES: CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(-c4ccncc4)cc3)N2C1=O.CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(-c4cncnc4)cc3)N2C1=O.CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(-n4ccnc4)cc3)N2C1=O.CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(N4CCN(C)CC4)cc3)N2C1=O
• InChI: InChI=1S/C27H30ClN5O2.C27H23ClN4O2.C26H22ClN5O2.C25H22ClN5O2/c1-16(2)32-26(34)23-15-21-20-14-18(28)6-9-22(20)29-24(21)25(33(23)27(32)35)17-4-7-19(8-5-17)31-12-10-30(3)11-13-31;1-15(2)31-26(33)23-14-21-20-13-19(28)7-8-22(20)30-24(21)25(32(23)27(31)34)18-5-3-16(4-6-18)17-9-11-29-12-10-17;1-14(2)31-25(33)22-10-20-19-9-18(27)7-8-21(19)30-23(20)24(32(22)26(31)34)16-5-3-15(4-6-16)17-11-28-13-29-12-17;1-14(2)30-24(32)21-12-19-18-11-16(26)5-8-20(18)28-22(19)23(31(21)25(30)33)15-3-6-17(7-4-15)29-10-9-27-13-29/h4-9,14,16,23,25,29H,10-13,15H2,1-3H3;3-13,15,23,25,30H,14H2,1-2H3;3-9,11-14,22,24,30H,10H2,1-2H3;3-11,13-14,21,23,28H,12H2,1-2H3
• InChIKey: ZPSAVONCOKOWCJ-UHFFFAOYSA-N
• XLogP: 19.49
• TPSA: 288.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.87
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione?

The IUPAC name of 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione (CID 162186420) is 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione.

What is the SMILES notation for 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione?

The canonical SMILES for 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione is CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(-c4ccncc4)cc3)N2C1=O.CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(-c4cncnc4)cc3)N2C1=O.CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(-n4ccnc4)cc3)N2C1=O.CC(C)N1C(=O)C2Cc3c([nH]c4ccc(Cl)cc34)C(c3ccc(N4CCN(C)CC4)cc3)N2C1=O.

What is the InChIKey of 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione?

The InChIKey is ZPSAVONCOKOWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2.C27H23ClN4O2.C26H22ClN5O2.C25H22ClN5O2/c1-16(2)32-26(34)23-15-21-20-14-18(28)6-9-22(20)29-24(21)25(33(23)27(32)35)17-4-7-19(8-5-17)31-12-10-30(3)11-13-31;1-15(2)31-26(33)23-14-21-20-13-19(28)7-8-22(20)30-24(21)25(32(23)27(31)34)18-5-3-16(4-6-18)17-9-11-29-12-10-17;1-14(2)31-25(33)22-10-20-19-9-18(27)7-8-21(19)30-23(20)24(32(22)26(31)34)16-5-3-15(4-6-16)17-11-28-13-29-12-17;1-14(2)30-24(32)21-12-19-18-11-16(26)5-8-20(18)28-22(19)23(31(21)25(30)33)15-3-6-17(7-4-15)29-10-9-27-13-29/h4-9,14,16,23,25,29H,10-13,15H2,1-3H3;3-13,15,23,25,30H,14H2,1-2H3;3-9,11-14,22,24,30H,10H2,1-2H3;3-11,13-14,21,23,28H,12H2,1-2H3.

What are the key properties of 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione?

4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione has a molecular weight of 1894.87 g/mol, XLogP of 19.49, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-10-(4-imidazol-1-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-10-[4-(4-methylpiperazin-1-yl)phenyl]-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyridin-4-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione;4-chloro-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione is sourced from PubChem (CID 162186420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).