2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide

C127H136N42O13 — CID 167665755

About 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide

2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 167665755) has the molecular formula C127H136N42O13 and a molecular weight of 2458.77 g/mol. Its IUPAC name is 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide
• PubChem CID: 167665755
• Molecular Formula: C127H136N42O13
• Molecular Weight: 2458.77 g/mol
• Exact Mass: 2457.13
• IUPAC Name: 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide
• SMILES: CC(C)NC(=O)C(C)(C)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)C(C)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)CCc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.COCCNC(=O)COc1ccc(-c2n[nH]c(Cc3ccc4[nH]ncc4c3)n2)cc1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCNC1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCOC1
• InChI: InChI=1S/C22H25N7O2.C21H22N8O2.C21H21N7O3.C21H23N7O2.C21H23N7O.C21H22N6O3/c1-13(2)24-20(30)22(3,4)31-17-8-5-14(6-9-17)19-26-21(29-28-19)25-16-7-10-18-15(11-16)12-23-27-18;30-19(24-16-7-8-22-11-16)12-31-17-4-1-13(2-5-17)20-26-21(29-28-20)25-15-3-6-18-14(9-15)10-23-27-18;29-19(23-16-7-8-30-11-16)12-31-17-4-1-13(2-5-17)20-25-21(28-27-20)24-15-3-6-18-14(9-15)10-22-26-18;1-12(2)23-20(29)13(3)30-17-7-4-14(5-8-17)19-25-21(28-27-19)24-16-6-9-18-15(10-16)11-22-26-18;1-13(2)23-19(29)10-5-14-3-6-15(7-4-14)20-25-21(28-27-20)24-17-8-9-18-16(11-17)12-22-26-18;1-29-9-8-22-20(28)13-30-17-5-3-15(4-6-17)21-24-19(26-27-21)11-14-2-7-18-16(10-14)12-23-25-18/h5-13H,1-4H3,(H,23,27)(H,24,30)(H2,25,26,28,29);1-6,9-10,16,22H,7-8,11-12H2,(H,23,27)(H,24,30)(H2,25,26,28,29);1-6,9-10,16H,7-8,11-12H2,(H,22,26)(H,23,29)(H2,24,25,27,28);4-13H,1-3H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-4,6-9,11-13H,5,10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);2-7,10,12H,8-9,11,13H2,1H3,(H,22,28)(H,23,25)(H,24,26,27)
• InChIKey: SPRWGYCWEYSCGF-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 732.89 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.77
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide?

The IUPAC name of 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide (CID 167665755) is 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide.

What is the SMILES notation for 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide?

The canonical SMILES for 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide is CC(C)NC(=O)C(C)(C)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)C(C)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)CCc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.COCCNC(=O)COc1ccc(-c2n[nH]c(Cc3ccc4[nH]ncc4c3)n2)cc1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCNC1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCOC1.

What is the InChIKey of 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide?

The InChIKey is SPRWGYCWEYSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2.C21H22N8O2.C21H21N7O3.C21H23N7O2.C21H23N7O.C21H22N6O3/c1-13(2)24-20(30)22(3,4)31-17-8-5-14(6-9-17)19-26-21(29-28-19)25-16-7-10-18-15(11-16)12-23-27-18;30-19(24-16-7-8-22-11-16)12-31-17-4-1-13(2-5-17)20-26-21(29-28-20)25-15-3-6-18-14(9-15)10-23-27-18;29-19(23-16-7-8-30-11-16)12-31-17-4-1-13(2-5-17)20-25-21(28-27-20)24-15-3-6-18-14(9-15)10-22-26-18;1-12(2)23-20(29)13(3)30-17-7-4-14(5-8-17)19-25-21(28-27-19)24-16-6-9-18-15(10-16)11-22-26-18;1-13(2)23-19(29)10-5-14-3-6-15(7-4-14)20-25-21(28-27-20)24-17-8-9-18-16(11-17)12-22-26-18;1-29-9-8-22-20(28)13-30-17-5-3-15(4-6-17)21-24-19(26-27-21)11-14-2-7-18-16(10-14)12-23-25-18/h5-13H,1-4H3,(H,23,27)(H,24,30)(H2,25,26,28,29);1-6,9-10,16,22H,7-8,11-12H2,(H,23,27)(H,24,30)(H2,25,26,28,29);1-6,9-10,16H,7-8,11-12H2,(H,22,26)(H,23,29)(H2,24,25,27,28);4-13H,1-3H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-4,6-9,11-13H,5,10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);2-7,10,12H,8-9,11,13H2,1H3,(H,22,28)(H,23,25)(H,24,26,27).

What are the key properties of 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide?

2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 2458.77 g/mol, XLogP of 17.11, 44 rotatable bonds, 24 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 167665755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).