2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

C24H18FN5S — CID 145034745

About 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145034745) has the molecular formula C24H18FN5S and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034745
• Molecular Formula: C24H18FN5S
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.13
• IUPAC Name: 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• SMILES: C=C/C=C\C(=C/C)c1cc2c(-c3nc4c(-c5ccsc5)nccc4[nH]3)n[nH]c2cc1F
• InChI: InChI=1S/C24H18FN5S/c1-3-5-6-14(4-2)16-11-17-20(12-18(16)25)29-30-22(17)24-27-19-7-9-26-21(23(19)28-24)15-8-10-31-13-15/h3-13H,1H2,2H3,(H,27,28)(H,29,30)/b6-5-,14-4+
• InChIKey: SDRJANCFSVWSJL-NDJUKFIMSA-N
• XLogP: 6.51
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (CID 145034745) is 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is C=C/C=C\C(=C/C)c1cc2c(-c3nc4c(-c5ccsc5)nccc4[nH]3)n[nH]c2cc1F.

What is the InChIKey of 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The InChIKey is SDRJANCFSVWSJL-NDJUKFIMSA-N. The full InChI is InChI=1S/C24H18FN5S/c1-3-5-6-14(4-2)16-11-17-20(12-18(16)25)29-30-22(17)24-27-19-7-9-26-21(23(19)28-24)15-8-10-31-13-15/h3-13H,1H2,2H3,(H,27,28)(H,29,30)/b6-5-,14-4+.

What are the key properties of 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 427.51 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-fluoro-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).