2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol

C47H48N10O5 — CID 137291765

About 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol

2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol (PubChem CID 137291765) has the molecular formula C47H48N10O5 and a molecular weight of 832.97 g/mol. Its IUPAC name is 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol.

Molecular Properties

• Compound Name: 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol
• PubChem CID: 137291765
• Molecular Formula: C47H48N10O5
• Molecular Weight: 832.97 g/mol
• Exact Mass: 832.38
• IUPAC Name: 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol
• SMILES: CN(CCOc1cc(-c2ccccc2O)nnc1N)Cc1cc(Oc2ccccc2-c2cc(OCCc3ccccc3)c(N)nn2)cc(-c2cc(C3CCCC3)c(N)nn2)c1O
• InChI: InChI=1S/C47H48N10O5/c1-57(20-22-61-43-26-38(52-55-47(43)50)33-15-7-9-17-40(33)58)28-31-23-32(24-36(44(31)59)37-25-35(45(48)54-51-37)30-13-5-6-14-30)62-41-18-10-8-16-34(41)39-27-42(46(49)56-53-39)60-21-19-29-11-3-2-4-12-29/h2-4,7-12,15-18,23-27,30,58-59H,5-6,13-14,19-22,28H2,1H3,(H2,48,54)(H2,49,56)(H2,50,55)
• InChIKey: IAZIBQPSGNEKOO-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 226.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.97
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol?

The IUPAC name of 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol (CID 137291765) is 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol.

What is the SMILES notation for 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol?

The canonical SMILES for 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol is CN(CCOc1cc(-c2ccccc2O)nnc1N)Cc1cc(Oc2ccccc2-c2cc(OCCc3ccccc3)c(N)nn2)cc(-c2cc(C3CCCC3)c(N)nn2)c1O.

What is the InChIKey of 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol?

The InChIKey is IAZIBQPSGNEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48N10O5/c1-57(20-22-61-43-26-38(52-55-47(43)50)33-15-7-9-17-40(33)58)28-31-23-32(24-36(44(31)59)37-25-35(45(48)54-51-37)30-13-5-6-14-30)62-41-18-10-8-16-34(41)39-27-42(46(49)56-53-39)60-21-19-29-11-3-2-4-12-29/h2-4,7-12,15-18,23-27,30,58-59H,5-6,13-14,19-22,28H2,1H3,(H2,48,54)(H2,49,56)(H2,50,55).

What are the key properties of 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol?

2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol has a molecular weight of 832.97 g/mol, XLogP of 7.80, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-5-cyclopentylpyridazin-3-yl)-6-[[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl-methylamino]methyl]-4-[2-[6-amino-5-(2-phenylethoxy)pyridazin-3-yl]phenoxy]phenol is sourced from PubChem (CID 137291765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).