4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol

C32H28N8O3 — CID 137291745

About 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol

4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol (PubChem CID 137291745) has the molecular formula C32H28N8O3 and a molecular weight of 572.63 g/mol. Its IUPAC name is 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol
• PubChem CID: 137291745
• Molecular Formula: C32H28N8O3
• Molecular Weight: 572.63 g/mol
• Exact Mass: 572.23
• IUPAC Name: 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol
• SMILES: C[C@@H](Oc1cc(-c2cc(Oc3ccccc3-c3cc(-c4ccnn4C)c(N)nn3)ccc2O)nnc1N)c1ccccc1
• InChI: InChI=1S/C32H28N8O3/c1-19(20-8-4-3-5-9-20)42-30-18-26(37-39-32(30)34)23-16-21(12-13-28(23)41)43-29-11-7-6-10-22(29)25-17-24(31(33)38-36-25)27-14-15-35-40(27)2/h3-19,41H,1-2H3,(H2,33,38)(H2,34,39)/t19-/m1/s1
• InChIKey: QHXHJRCGXRWMST-LJQANCHMSA-N
• XLogP: 5.80
• TPSA: 160.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	572.63
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol?

The IUPAC name of 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol (CID 137291745) is 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol.

What is the SMILES notation for 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol?

The canonical SMILES for 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol is C[C@@H](Oc1cc(-c2cc(Oc3ccccc3-c3cc(-c4ccnn4C)c(N)nn3)ccc2O)nnc1N)c1ccccc1.

What is the InChIKey of 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol?

The InChIKey is QHXHJRCGXRWMST-LJQANCHMSA-N. The full InChI is InChI=1S/C32H28N8O3/c1-19(20-8-4-3-5-9-20)42-30-18-26(37-39-32(30)34)23-16-21(12-13-28(23)41)43-29-11-7-6-10-22(29)25-17-24(31(33)38-36-25)27-14-15-35-40(27)2/h3-19,41H,1-2H3,(H2,33,38)(H2,34,39)/t19-/m1/s1.

What are the key properties of 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol?

4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol has a molecular weight of 572.63 g/mol, XLogP of 5.80, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 137291745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).