5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole

C26H26Cl2N6O — CID 135298116

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole (PubChem CID 135298116) has the molecular formula C26H26Cl2N6O and a molecular weight of 509.44 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole
• PubChem CID: 135298116
• Molecular Formula: C26H26Cl2N6O
• Molecular Weight: 509.44 g/mol
• Exact Mass: 508.15
• IUPAC Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole
• SMILES: CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)nn3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C26H26Cl2N6O/c1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34/h5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33)/b9-7+
• InChIKey: SZOXVWNHWLYRML-VQHVLOKHSA-N
• XLogP: 6.35
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.44
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole?

The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole (CID 135298116) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole.

What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole?

The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)nn3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole?

The InChIKey is SZOXVWNHWLYRML-VQHVLOKHSA-N. The full InChI is InChI=1S/C26H26Cl2N6O/c1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34/h5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33)/b9-7+.

What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole?

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole has a molecular weight of 509.44 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole is sourced from PubChem (CID 135298116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).