3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride

C172H155ClN26O14S — CID 172953752

About 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride

3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride (PubChem CID 172953752) has the molecular formula C172H155ClN26O14S and a molecular weight of 2877.82 g/mol. Its IUPAC name is 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
• PubChem CID: 172953752
• Molecular Formula: C172H155ClN26O14S
• Molecular Weight: 2877.82 g/mol
• Exact Mass: 2875.16
• IUPAC Name: 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
• SMILES: C.C.C.C.C.C.C/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.CC(=O)c1cccc(C(=O)Nc2cccc(N(C)c3ccc4c(/C=C/c5ccc6c(c5)OCO6)n[nH]c4c3)c2)c1.CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(-c5cc6ccccc6[nH]5)n[nH]c4c3)c2)c1.Cl.O=C(Nc1cccc(C(=O)c2ccc3c(/C=N/n4cccc4)[nH]nc3c2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccs4)n[nH]c3c2)c1)c1ccccc1
• InChI: InChI=1S/C32H26N4O4.C29H22N4O2.C28H24N6O2.C26H19N5O2.C26H19N3O2S.C25H20N4O2.6CH4.ClH/c1-20(37)22-5-3-6-23(16-22)32(38)33-24-7-4-8-25(17-24)36(2)26-11-12-27-28(34-35-29(27)18-26)13-9-21-10-14-30-31(15-21)40-19-39-30;1-18-6-4-8-20(14-18)29(34)30-21-9-5-10-22(16-21)35-23-12-13-24-26(17-23)32-33-28(24)27-15-19-7-2-3-11-25(19)31-27;1-3-34-26(15-18(2)33-34)28(36)30-22-9-6-7-19(16-22)27(35)20-10-12-23-24(31-32-25(23)17-20)13-11-21-8-4-5-14-29-21;32-25(19-9-6-10-21(15-19)28-26(33)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-30-24(22)17-27-31-13-4-5-14-31;30-26(18-6-2-1-3-7-18)27-19-8-4-9-20(16-19)31-21-11-13-23-24(28-29-25(23)17-21)14-12-22-10-5-15-32-22;1-2-6-24(30)27-20-9-5-7-17(15-20)25(31)18-10-12-21-22(28-29-23(21)16-18)13-11-19-8-3-4-14-26-19;;;;;;;/h3-18H,19H2,1-2H3,(H,33,38)(H,34,35);2-17,31H,1H3,(H,30,34)(H,32,33);4-17H,3H2,1-2H3,(H,30,36)(H,31,32);1-17H,(H,28,33)(H,29,30);1-17H,(H,27,30)(H,28,29);2-16H,1H3,(H,27,30)(H,28,29);6*1H4;1H/b13-9+;;13-11+;27-17+;14-12+;6-2+,13-11+
• InChIKey: QEMHULDYHDQAEK-NPQWWXFVSA-N
• XLogP: 39.57
• TPSA: 531.80 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2877.82
LogP ≤ 5	39.57
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?

The IUPAC name of 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride (CID 172953752) is 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride.

What is the SMILES notation for 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?

The canonical SMILES for 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride is C.C.C.C.C.C.C/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.CC(=O)c1cccc(C(=O)Nc2cccc(N(C)c3ccc4c(/C=C/c5ccc6c(c5)OCO6)n[nH]c4c3)c2)c1.CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(-c5cc6ccccc6[nH]5)n[nH]c4c3)c2)c1.Cl.O=C(Nc1cccc(C(=O)c2ccc3c(/C=N/n4cccc4)[nH]nc3c2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccs4)n[nH]c3c2)c1)c1ccccc1.

What is the InChIKey of 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?

The InChIKey is QEMHULDYHDQAEK-NPQWWXFVSA-N. The full InChI is InChI=1S/C32H26N4O4.C29H22N4O2.C28H24N6O2.C26H19N5O2.C26H19N3O2S.C25H20N4O2.6CH4.ClH/c1-20(37)22-5-3-6-23(16-22)32(38)33-24-7-4-8-25(17-24)36(2)26-11-12-27-28(34-35-29(27)18-26)13-9-21-10-14-30-31(15-21)40-19-39-30;1-18-6-4-8-20(14-18)29(34)30-21-9-5-10-22(16-21)35-23-12-13-24-26(17-23)32-33-28(24)27-15-19-7-2-3-11-25(19)31-27;1-3-34-26(15-18(2)33-34)28(36)30-22-9-6-7-19(16-22)27(35)20-10-12-23-24(31-32-25(23)17-20)13-11-21-8-4-5-14-29-21;32-25(19-9-6-10-21(15-19)28-26(33)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-30-24(22)17-27-31-13-4-5-14-31;30-26(18-6-2-1-3-7-18)27-19-8-4-9-20(16-19)31-21-11-13-23-24(28-29-25(23)17-21)14-12-22-10-5-15-32-22;1-2-6-24(30)27-20-9-5-7-17(15-20)25(31)18-10-12-21-22(28-29-23(21)16-18)13-11-19-8-3-4-14-26-19;;;;;;;/h3-18H,19H2,1-2H3,(H,33,38)(H,34,35);2-17,31H,1H3,(H,30,34)(H,32,33);4-17H,3H2,1-2H3,(H,30,36)(H,31,32);1-17H,(H,28,33)(H,29,30);1-17H,(H,27,30)(H,28,29);2-16H,1H3,(H,27,30)(H,28,29);6*1H4;1H/b13-9+;;13-11+;27-17+;14-12+;6-2+,13-11+;;;;;;;.

What are the key properties of 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?

3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride has a molecular weight of 2877.82 g/mol, XLogP of 39.57, 37 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 172953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).