N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C106H118N36O11 — CID 167655887

About N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine

N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 167655887) has the molecular formula C106H118N36O11 and a molecular weight of 2072.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

• Compound Name: N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine
• PubChem CID: 167655887
• Molecular Formula: C106H118N36O11
• Molecular Weight: 2072.35 g/mol
• Exact Mass: 2070.98
• IUPAC Name: N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine
• SMILES: CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CCc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC1CNC1
• InChI: InChI=1S/C22H24N8O3.C22H25N7O3.C22H25N7O2.C20H21N7O2.C20H23N7O/c1-30-22(26-15-4-5-17-14(7-15)9-24-28-17)27-21(29-30)13-3-6-18(19(8-13)32-2)33-12-20(31)25-16-10-23-11-16;1-13(2)24-20(30)12-32-18-8-5-14(10-19(18)31-4)21-26-22(29(3)28-21)25-16-6-7-17-15(9-16)11-23-27-17;1-4-14-9-15(5-8-19(14)31-12-20(30)24-13(2)3)21-26-22(29-28-21)25-17-6-7-18-16(10-17)11-23-27-18;1-12(2)22-18(28)11-29-16-6-3-13(4-7-16)19-24-20(27-26-19)23-15-5-8-17-14(9-15)10-21-25-17;1-13(2)21-9-10-28-17-6-3-14(4-7-17)19-24-20(27-26-19)23-16-5-8-18-15(11-16)12-22-25-18/h3-9,16,23H,10-12H2,1-2H3,(H,24,28)(H,25,31)(H,26,27,29);5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);5-11,13H,4,12H2,1-3H3,(H,23,27)(H,24,30)(H2,25,26,28,29);3-10,12H,11H2,1-2H3,(H,21,25)(H,22,28)(H2,23,24,26,27);3-8,11-13,21H,9-10H2,1-2H3,(H,22,25)(H2,23,24,26,27)
• InChIKey: RGFBMHCTQUCNMH-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 594.75 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 35
• Rotatable Bonds: 39
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.35
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine?

The IUPAC name of N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 167655887) is N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

What is the SMILES notation for N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine?

The canonical SMILES for N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine is CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CCc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC1CNC1.

What is the InChIKey of N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine?

The InChIKey is RGFBMHCTQUCNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3.C22H25N7O3.C22H25N7O2.C20H21N7O2.C20H23N7O/c1-30-22(26-15-4-5-17-14(7-15)9-24-28-17)27-21(29-30)13-3-6-18(19(8-13)32-2)33-12-20(31)25-16-10-23-11-16;1-13(2)24-20(30)12-32-18-8-5-14(10-19(18)31-4)21-26-22(29(3)28-21)25-16-6-7-17-15(9-16)11-23-27-17;1-4-14-9-15(5-8-19(14)31-12-20(30)24-13(2)3)21-26-22(29-28-21)25-17-6-7-18-16(10-17)11-23-27-18;1-12(2)22-18(28)11-29-16-6-3-13(4-7-16)19-24-20(27-26-19)23-15-5-8-17-14(9-15)10-21-25-17;1-13(2)21-9-10-28-17-6-3-14(4-7-17)19-24-20(27-26-19)23-16-5-8-18-15(11-16)12-22-25-18/h3-9,16,23H,10-12H2,1-2H3,(H,24,28)(H,25,31)(H,26,27,29);5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);5-11,13H,4,12H2,1-3H3,(H,23,27)(H,24,30)(H2,25,26,28,29);3-10,12H,11H2,1-2H3,(H,21,25)(H,22,28)(H2,23,24,26,27);3-8,11-13,21H,9-10H2,1-2H3,(H,22,25)(H2,23,24,26,27).

What are the key properties of N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine?

N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 2072.35 g/mol, XLogP of 14.61, 39 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 167655887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).