2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol

C32H25Cl2N9O2 — CID 134413278

About 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol

2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol (PubChem CID 134413278) has the molecular formula C32H25Cl2N9O2 and a molecular weight of 638.52 g/mol. Its IUPAC name is 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol
• PubChem CID: 134413278
• Molecular Formula: C32H25Cl2N9O2
• Molecular Weight: 638.52 g/mol
• Exact Mass: 637.15
• IUPAC Name: 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol
• SMILES: Cc1nn(CCOc2ccc(-c3nn(CCO)c4nnc(-c5ccccc5)c(Cl)c34)cn2)c2nnc(-c3ccccc3)c(Cl)c12
• InChI: InChI=1S/C32H25Cl2N9O2/c1-19-24-26(33)29(20-8-4-2-5-9-20)36-38-31(24)43(40-19)15-17-45-23-13-12-22(18-35-23)28-25-27(34)30(21-10-6-3-7-11-21)37-39-32(25)42(41-28)14-16-44/h2-13,18,44H,14-17H2,1H3
• InChIKey: MSGXQNBMKKDZGE-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 129.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	638.52
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?

The IUPAC name of 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol (CID 134413278) is 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?

The canonical SMILES for 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol is Cc1nn(CCOc2ccc(-c3nn(CCO)c4nnc(-c5ccccc5)c(Cl)c34)cn2)c2nnc(-c3ccccc3)c(Cl)c12.

What is the InChIKey of 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?

The InChIKey is MSGXQNBMKKDZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Cl2N9O2/c1-19-24-26(33)29(20-8-4-2-5-9-20)36-38-31(24)43(40-19)15-17-45-23-13-12-22(18-35-23)28-25-27(34)30(21-10-6-3-7-11-21)37-39-32(25)42(41-28)14-16-44/h2-13,18,44H,14-17H2,1H3.

What are the key properties of 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?

2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol has a molecular weight of 638.52 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-3-[6-[2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethoxy]-3-pyridinyl]-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol is sourced from PubChem (CID 134413278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).