3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole

C26H24FN5 — CID 145036762

About 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole

3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole (PubChem CID 145036762) has the molecular formula C26H24FN5 and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
• PubChem CID: 145036762
• Molecular Formula: C26H24FN5
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.20
• IUPAC Name: 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
• SMILES: C=C/C=C(/c1ccc(F)cc1)c1nc(-c2n[nH]c3ccc(C4=CCNCC4)cc23)[nH]c1C
• InChI: InChI=1S/C26H24FN5/c1-3-4-21(18-5-8-20(27)9-6-18)24-16(2)29-26(30-24)25-22-15-19(7-10-23(22)31-32-25)17-11-13-28-14-12-17/h3-11,15,28H,1,12-14H2,2H3,(H,29,30)(H,31,32)/b21-4-
• InChIKey: RCRXKABLKCOSCQ-IGLQUIOVSA-N
• XLogP: 5.39
• TPSA: 69.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?

The IUPAC name of 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole (CID 145036762) is 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole.

What is the SMILES notation for 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?

The canonical SMILES for 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole is C=C/C=C(/c1ccc(F)cc1)c1nc(-c2n[nH]c3ccc(C4=CCNCC4)cc23)[nH]c1C.

What is the InChIKey of 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?

The InChIKey is RCRXKABLKCOSCQ-IGLQUIOVSA-N. The full InChI is InChI=1S/C26H24FN5/c1-3-4-21(18-5-8-20(27)9-6-18)24-16(2)29-26(30-24)25-22-15-19(7-10-23(22)31-32-25)17-11-13-28-14-12-17/h3-11,15,28H,1,12-14H2,2H3,(H,29,30)(H,31,32)/b21-4-.

What are the key properties of 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?

3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole has a molecular weight of 425.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole is sourced from PubChem (CID 145036762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).