5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine

C₁₁₀H₈₂ClFN₁₆ — CID 159440601

About 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine

5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine (PubChem CID 159440601) has the molecular formula C₁₁₀H₈₂ClFN₁₆ and a molecular weight of 1682.43 g/mol. Its IUPAC name is 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine.

Molecular Properties

• Compound Name: 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine
• PubChem CID: 159440601
• Molecular Formula: C₁₁₀H₈₂ClFN₁₆
• Molecular Weight: 1682.43 g/mol
• Exact Mass: 1680.66
• IUPAC Name: 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cnccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12
• InChI: InChI=1S/C24H16FN3.C24H18N4.2C21H17N3.C20H14ClN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;1-15-14-22-12-11-18(15)17-8-10-21-19(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14/h1-15H,(H,27,28);1-15H,25H2,(H,27,28);2*2-14H,1H3,(H,23,24);1-13H,(H,23,24)/b2*11-9+;2*9-7+;8-6+
• InChIKey: LSCVFLQUYHXATR-NPJXLGAJSA-N
• XLogP: 27.27
• TPSA: 233.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1682.43
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?

The IUPAC name of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine (CID 159440601) is 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine.

What is the SMILES notation for 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?

The canonical SMILES for 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine is Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cnccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12.

What is the InChIKey of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?

The InChIKey is LSCVFLQUYHXATR-NPJXLGAJSA-N. The full InChI is InChI=1S/C24H16FN3.C24H18N4.2C21H17N3.C20H14ClN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;1-15-14-22-12-11-18(15)17-8-10-21-19(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14/h1-15H,(H,27,28);1-15H,25H2,(H,27,28);2*2-14H,1H3,(H,23,24);1-13H,(H,23,24)/b2*11-9+;2*9-7+;8-6+.

What are the key properties of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?

5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine has a molecular weight of 1682.43 g/mol, XLogP of 27.27, 15 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine is sourced from PubChem (CID 159440601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159440601 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.