4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine

C25H24Cl2N6O2 — CID 134593624

About 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine

4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine (PubChem CID 134593624) has the molecular formula C25H24Cl2N6O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine
• PubChem CID: 134593624
• Molecular Formula: C25H24Cl2N6O2
• Molecular Weight: 511.41 g/mol
• Exact Mass: 510.13
• IUPAC Name: 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine
• SMILES: CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCOCC4)nn3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C25H24Cl2N6O2/c1-16(25-21(26)13-28-14-22(25)27)35-19-5-7-24-20(12-19)23(31-32-24)6-4-17-2-3-18(30-29-17)15-33-8-10-34-11-9-33/h2-7,12-14,16H,8-11,15H2,1H3,(H,31,32)/b6-4+
• InChIKey: DCXMZTDGDUDVCE-GQCTYLIASA-N
• XLogP: 5.20
• TPSA: 89.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.41
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine (CID 134593624) is 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine.

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

The canonical SMILES for 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCOCC4)nn3)c2c1)c1c(Cl)cncc1Cl.

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

The InChIKey is DCXMZTDGDUDVCE-GQCTYLIASA-N. The full InChI is InChI=1S/C25H24Cl2N6O2/c1-16(25-21(26)13-28-14-22(25)27)35-19-5-7-24-20(12-19)23(31-32-24)6-4-17-2-3-18(30-29-17)15-33-8-10-34-11-9-33/h2-7,12-14,16H,8-11,15H2,1H3,(H,31,32)/b6-4+.

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

4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine has a molecular weight of 511.41 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine is sourced from PubChem (CID 134593624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).