5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole

C23H19Cl2FN4O — CID 145256605

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole (PubChem CID 145256605) has the molecular formula C23H19Cl2FN4O and a molecular weight of 457.34 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole
• PubChem CID: 145256605
• Molecular Formula: C23H19Cl2FN4O
• Molecular Weight: 457.34 g/mol
• Exact Mass: 456.09
• IUPAC Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole
• SMILES: CCc1ccc(/C=C(\F)c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cn1
• InChI: InChI=1S/C23H19Cl2FN4O/c1-3-15-5-4-14(10-28-15)8-20(26)23-17-9-16(6-7-21(17)29-30-23)31-13(2)22-18(24)11-27-12-19(22)25/h4-13H,3H2,1-2H3,(H,29,30)/b20-8-
• InChIKey: SSFBCNDXXMHMDJ-ZBKNUEDVSA-N
• XLogP: 6.83
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.34
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole?

The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole (CID 145256605) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole.

What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole?

The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole is CCc1ccc(/C=C(\F)c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cn1.

What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole?

The InChIKey is SSFBCNDXXMHMDJ-ZBKNUEDVSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O/c1-3-15-5-4-14(10-28-15)8-20(26)23-17-9-16(6-7-21(17)29-30-23)31-13(2)22-18(24)11-27-12-19(22)25/h4-13H,3H2,1-2H3,(H,29,30)/b20-8-.

What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole?

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole has a molecular weight of 457.34 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole is sourced from PubChem (CID 145256605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).