3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

C88H92N22O6 — CID 158364835

About 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 158364835) has the molecular formula C88H92N22O6 and a molecular weight of 1553.85 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
• PubChem CID: 158364835
• Molecular Formula: C88H92N22O6
• Molecular Weight: 1553.85 g/mol
• Exact Mass: 1552.76
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
• SMILES: CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc5c(c4)OCO5)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CC5)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1.COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1OC
• InChI: InChI=1S/C24H26N6O.C23H24N6O.C21H23N5O2.C20H19N5O2/c1-14(2)11-21-26-23(30-28-21)16-9-10-20-19(13-16)22(29-27-20)15-5-3-6-17(12-15)24(31)25-18-7-4-8-18;1-13(2)10-20-25-22(29-27-20)15-6-9-19-18(12-15)21(28-26-19)14-4-3-5-16(11-14)23(30)24-17-7-8-17;1-12(2)9-19-22-21(26-24-19)14-5-7-16-15(10-14)20(25-23-16)13-6-8-17(27-3)18(11-13)28-4;1-11(2)7-18-21-20(25-23-18)13-3-5-15-14(8-13)19(24-22-15)12-4-6-16-17(9-12)27-10-26-16/h3,5-6,9-10,12-14,18H,4,7-8,11H2,1-2H3,(H,25,31)(H,27,29)(H,26,28,30);3-6,9,11-13,17H,7-8,10H2,1-2H3,(H,24,30)(H,26,28)(H,25,27,29);5-8,10-12H,9H2,1-4H3,(H,23,25)(H,22,24,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,24)(H,21,23,25)
• InChIKey: GTXGKEFHQWOCDM-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 376.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1553.85
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 158364835) is 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc5c(c4)OCO5)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CC5)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1.COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1OC.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?

The InChIKey is GTXGKEFHQWOCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.C23H24N6O.C21H23N5O2.C20H19N5O2/c1-14(2)11-21-26-23(30-28-21)16-9-10-20-19(13-16)22(29-27-20)15-5-3-6-17(12-15)24(31)25-18-7-4-8-18;1-13(2)10-20-25-22(29-27-20)15-6-9-19-18(12-15)21(28-26-19)14-4-3-5-16(11-14)23(30)24-17-7-8-17;1-12(2)9-19-22-21(26-24-19)14-5-7-16-15(10-14)20(25-23-16)13-6-8-17(27-3)18(11-13)28-4;1-11(2)7-18-21-20(25-23-18)13-3-5-15-14(8-13)19(24-22-15)12-4-6-16-17(9-12)27-10-26-16/h3,5-6,9-10,12-14,18H,4,7-8,11H2,1-2H3,(H,25,31)(H,27,29)(H,26,28,30);3-6,9,11-13,17H,7-8,10H2,1-2H3,(H,24,30)(H,26,28)(H,25,27,29);5-8,10-12H,9H2,1-4H3,(H,23,25)(H,22,24,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,24)(H,21,23,25).

What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?

3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 1553.85 g/mol, XLogP of 16.77, 22 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N-cyclobutyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-cyclopropyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 158364835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).