15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C97H67ClN22O24 — CID 159574497

About 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 159574497) has the molecular formula C97H67ClN22O24 and a molecular weight of 1960.19 g/mol. Its IUPAC name is 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

• Compound Name: 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
• PubChem CID: 159574497
• Molecular Formula: C97H67ClN22O24
• Molecular Weight: 1960.19 g/mol
• Exact Mass: 1958.44
• IUPAC Name: 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
• SMILES: COc1cnc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4.O=C1NC(=O)c2c1c1c(c3[nH]c4[nH]c(=O)c(Cl)cc4c23)CCC1.O=C1NC(=O)c2c1c1c(c3nc4n(O)c([N+](=O)[O-])ccc-4c23)CCC1.O=C1NC(=O)c2c1c1c(c3nc4n(O)ccc([N+](=O)[O-])c-4c23)CCC1.O=Nc1ccc2c3c(nc-2n1O)c1c(c2c(O)[nH]c(O)c23)CCC1.O=Nc1ccn(O)c2nc3c4c(c5c(O)[nH]c(O)c5c3c1-2)CCC4
• InChI: InChI=1S/C17H13N3O3.C16H10ClN3O3.2C16H10N4O5.2C16H12N4O4/c1-23-7-5-10-11-13-12(16(21)20-17(13)22)8-3-2-4-9(8)14(11)19-15(10)18-6-7;17-8-4-7-9-11-10(15(22)20-16(11)23)5-2-1-3-6(5)12(9)18-13(7)19-14(8)21;21-15-9-6-2-1-3-7(6)13-11(12(9)16(22)18-15)10-8(20(24)25)4-5-19(23)14(10)17-13;21-15-11-6-2-1-3-7(6)13-10(12(11)16(22)18-15)8-4-5-9(20(24)25)19(23)14(8)17-13;21-15-9-6-2-1-3-7(6)13-11(12(9)16(22)18-15)10-8(19-23)4-5-20(24)14(10)17-13;21-15-11-6-2-1-3-7(6)13-10(12(11)16(22)18-15)8-4-5-9(19-23)20(24)14(8)17-13/h5-6H,2-4H2,1H3,(H,18,19)(H,20,21,22);4H,1-3H2,(H2,18,19,21)(H,20,22,23);2*4-5,23H,1-3H2,(H,18,21,22);2*4-5,18,21-22,24H,1-3H2
• InChIKey: MZBCHPFESALGTH-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 681.08 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 35
• Rotatable Bonds: 5
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.19
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?

The IUPAC name of 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 159574497) is 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

What is the SMILES notation for 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?

The canonical SMILES for 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is COc1cnc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4.O=C1NC(=O)c2c1c1c(c3[nH]c4[nH]c(=O)c(Cl)cc4c23)CCC1.O=C1NC(=O)c2c1c1c(c3nc4n(O)c([N+](=O)[O-])ccc-4c23)CCC1.O=C1NC(=O)c2c1c1c(c3nc4n(O)ccc([N+](=O)[O-])c-4c23)CCC1.O=Nc1ccc2c3c(nc-2n1O)c1c(c2c(O)[nH]c(O)c23)CCC1.O=Nc1ccn(O)c2nc3c4c(c5c(O)[nH]c(O)c5c3c1-2)CCC4.

What is the InChIKey of 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?

The InChIKey is MZBCHPFESALGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3.C16H10ClN3O3.2C16H10N4O5.2C16H12N4O4/c1-23-7-5-10-11-13-12(16(21)20-17(13)22)8-3-2-4-9(8)14(11)19-15(10)18-6-7;17-8-4-7-9-11-10(15(22)20-16(11)23)5-2-1-3-6(5)12(9)18-13(7)19-14(8)21;21-15-9-6-2-1-3-7(6)13-11(12(9)16(22)18-15)10-8(20(24)25)4-5-19(23)14(10)17-13;21-15-11-6-2-1-3-7(6)13-10(12(11)16(22)18-15)8-4-5-9(20(24)25)19(23)14(8)17-13;21-15-9-6-2-1-3-7(6)13-11(12(9)16(22)18-15)10-8(19-23)4-5-20(24)14(10)17-13;21-15-11-6-2-1-3-7(6)13-10(12(11)16(22)18-15)8-4-5-9(19-23)20(24)14(8)17-13/h5-6H,2-4H2,1H3,(H,18,19)(H,20,21,22);4H,1-3H2,(H2,18,19,21)(H,20,22,23);2*4-5,23H,1-3H2,(H,18,21,22);2*4-5,18,21-22,24H,1-3H2.

What are the key properties of 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?

15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 1960.19 g/mol, XLogP of 13.76, 5 rotatable bonds, 17 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 15-chloro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14-pentaene-8,10,16-trione;17-hydroxy-14-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-16-nitroso-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7,10,13,15,18-heptaene-8,10-diol;17-hydroxy-14-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;17-hydroxy-16-nitro-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,18-hexaene-8,10-dione;15-methoxy-9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 159574497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).