6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate

C70H75N23O14S2 — CID 160935977

About 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate

6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 160935977) has the molecular formula C70H75N23O14S2 and a molecular weight of 1526.65 g/mol. Its IUPAC name is 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

• Compound Name: 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
• PubChem CID: 160935977
• Molecular Formula: C70H75N23O14S2
• Molecular Weight: 1526.65 g/mol
• Exact Mass: 1525.53
• IUPAC Name: 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
• SMILES: Cc1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NCCC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)c1.Cn1cnc(NCCC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)c1.Cn1cnc(NCCCOc2ccc3c(=O)[nH][nH]c3c2)c1
• InChI: InChI=1S/2C14H15N5O3.C14H17N5O2.2C14H14N4O3S/c1-19-7-12(15-8-19)16-13(20)4-5-22-9-2-3-10-11(6-9)17-18-14(10)21;1-19-7-12(16-8-19)15-5-4-13(20)22-9-2-3-10-11(6-9)17-18-14(10)21;1-19-8-13(16-9-19)15-5-2-6-21-10-3-4-11-12(7-10)17-18-14(11)20;1-8-7-15-14(22-8)16-12(19)4-5-21-9-2-3-10-11(6-9)17-18-13(10)20;1-8-7-16-14(22-8)15-5-4-12(19)21-9-2-3-10-11(6-9)17-18-13(10)20/h2-3,6-8H,4-5H2,1H3,(H,16,20)(H2,17,18,21);2-3,6-8,15H,4-5H2,1H3,(H2,17,18,21);3-4,7-9,15H,2,5-6H2,1H3,(H2,17,18,20);2-3,6-7H,4-5H2,1H3,(H,15,16,19)(H2,17,18,20);2-3,6-7H,4-5H2,1H3,(H,15,16)(H2,17,18,20)
• InChIKey: STWLTTLRVRKWOL-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 497.07 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1526.65
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate?

The IUPAC name of 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate (CID 160935977) is 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate.

What is the SMILES notation for 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate?

The canonical SMILES for 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate is Cc1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NCCC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)c1.Cn1cnc(NCCC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)c1.Cn1cnc(NCCCOc2ccc3c(=O)[nH][nH]c3c2)c1.

What is the InChIKey of 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate?

The InChIKey is STWLTTLRVRKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N5O3.C14H17N5O2.2C14H14N4O3S/c1-19-7-12(15-8-19)16-13(20)4-5-22-9-2-3-10-11(6-9)17-18-14(10)21;1-19-7-12(16-8-19)15-5-4-13(20)22-9-2-3-10-11(6-9)17-18-14(10)21;1-19-8-13(16-9-19)15-5-2-6-21-10-3-4-11-12(7-10)17-18-14(11)20;1-8-7-15-14(22-8)16-12(19)4-5-21-9-2-3-10-11(6-9)17-18-13(10)20;1-8-7-16-14(22-8)15-5-4-12(19)21-9-2-3-10-11(6-9)17-18-13(10)20/h2-3,6-8H,4-5H2,1H3,(H,16,20)(H2,17,18,21);2-3,6-8,15H,4-5H2,1H3,(H2,17,18,21);3-4,7-9,15H,2,5-6H2,1H3,(H2,17,18,20);2-3,6-7H,4-5H2,1H3,(H,15,16,19)(H2,17,18,20);2-3,6-7H,4-5H2,1H3,(H,15,16)(H2,17,18,20).

What are the key properties of 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate?

6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 1526.65 g/mol, XLogP of 7.52, 26 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(1-methylimidazol-4-yl)amino]propoxy]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 160935977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).