5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C26H21FN6 — CID 145036747

About 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145036747) has the molecular formula C26H21FN6 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145036747
• Molecular Formula: C26H21FN6
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.18
• IUPAC Name: 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C/C=C(/c1cccc(F)c1)c1nc(-c2n[nH]c3ccc(-c4cncc(N)c4)cc23)[nH]c1C
• InChI: InChI=1S/C26H21FN6/c1-3-5-21(17-6-4-7-19(27)10-17)24-15(2)30-26(31-24)25-22-12-16(8-9-23(22)32-33-25)18-11-20(28)14-29-13-18/h3-14H,1,28H2,2H3,(H,30,31)(H,32,33)/b21-5-
• InChIKey: OTJYIFFRZLWBBC-SQFVCTCFSA-N
• XLogP: 5.66
• TPSA: 96.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	3
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 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145036747) is 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C/C=C(/c1cccc(F)c1)c1nc(-c2n[nH]c3ccc(-c4cncc(N)c4)cc23)[nH]c1C.

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

The InChIKey is OTJYIFFRZLWBBC-SQFVCTCFSA-N. The full InChI is InChI=1S/C26H21FN6/c1-3-5-21(17-6-4-7-19(27)10-17)24-15(2)30-26(31-24)25-22-12-16(8-9-23(22)32-33-25)18-11-20(28)14-29-13-18/h3-14H,1,28H2,2H3,(H,30,31)(H,32,33)/b21-5-.

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

5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 436.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145036747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).