4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane

C26H26Cl4N4O — CID 145231309

About 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane

4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane (PubChem CID 145231309) has the molecular formula C26H26Cl4N4O and a molecular weight of 552.33 g/mol. Its IUPAC name is 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane.

Molecular Properties

• Compound Name: 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane
• PubChem CID: 145231309
• Molecular Formula: C26H26Cl4N4O
• Molecular Weight: 552.33 g/mol
• Exact Mass: 550.09
• IUPAC Name: 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane
• SMILES: C=C(Nc1cc(Cl)c(Cl)cc1C)c1n[nH]c2ccc(OC(C)c3c(Cl)cncc3Cl)cc12.CCC
• InChI: InChI=1S/C23H18Cl4N4O.C3H8/c1-11-6-16(24)17(25)8-21(11)29-12(2)23-15-7-14(4-5-20(15)30-31-23)32-13(3)22-18(26)9-28-10-19(22)27;1-3-2/h4-10,13,29H,2H2,1,3H3,(H,30,31);3H2,1-2H3
• InChIKey: AVZHDFUNWBKGID-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.33
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane?

The IUPAC name of 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane (CID 145231309) is 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane.

What is the SMILES notation for 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane?

The canonical SMILES for 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane is C=C(Nc1cc(Cl)c(Cl)cc1C)c1n[nH]c2ccc(OC(C)c3c(Cl)cncc3Cl)cc12.CCC.

What is the InChIKey of 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane?

The InChIKey is AVZHDFUNWBKGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl4N4O.C3H8/c1-11-6-16(24)17(25)8-21(11)29-12(2)23-15-7-14(4-5-20(15)30-31-23)32-13(3)22-18(26)9-28-10-19(22)27;1-3-2/h4-10,13,29H,2H2,1,3H3,(H,30,31);3H2,1-2H3.

What are the key properties of 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane?

4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane has a molecular weight of 552.33 g/mol, XLogP of 9.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichloro-N-[1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-methylaniline;propane is sourced from PubChem (CID 145231309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).