2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol

C37H36N8O3 — CID 145145530

About 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol

2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol (PubChem CID 145145530) has the molecular formula C37H36N8O3 and a molecular weight of 640.75 g/mol. Its IUPAC name is 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol.

Molecular Properties

• Compound Name: 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol
• PubChem CID: 145145530
• Molecular Formula: C37H36N8O3
• Molecular Weight: 640.75 g/mol
• Exact Mass: 640.29
• IUPAC Name: 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol
• SMILES: CC(c1cccc(-c2ccc(-c3cc(OC4CCCCC4)c(N)nn3)c(O)c2)c1)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
• InChI: InChI=1S/C37H36N8O3/c1-22(45-21-26(20-40-45)30-18-31(41-43-36(30)38)28-12-5-6-13-33(28)46)23-8-7-9-24(16-23)25-14-15-29(34(47)17-25)32-19-35(37(39)44-42-32)48-27-10-3-2-4-11-27/h5-9,12-22,27,46-47H,2-4,10-11H2,1H3,(H2,38,43)(H2,39,44)
• InChIKey: TYGFDRQZOBNDEB-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 171.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	640.75
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol?

The IUPAC name of 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol (CID 145145530) is 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol.

What is the SMILES notation for 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol?

The canonical SMILES for 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol is CC(c1cccc(-c2ccc(-c3cc(OC4CCCCC4)c(N)nn3)c(O)c2)c1)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1.

What is the InChIKey of 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol?

The InChIKey is TYGFDRQZOBNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N8O3/c1-22(45-21-26(20-40-45)30-18-31(41-43-36(30)38)28-12-5-6-13-33(28)46)23-8-7-9-24(16-23)25-14-15-29(34(47)17-25)32-19-35(37(39)44-42-32)48-27-10-3-2-4-11-27/h5-9,12-22,27,46-47H,2-4,10-11H2,1H3,(H2,38,43)(H2,39,44).

What are the key properties of 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol?

2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol has a molecular weight of 640.75 g/mol, XLogP of 7.03, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol is sourced from PubChem (CID 145145530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).