4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide

C29H24FN5O — CID 18833173

About 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide

4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide (PubChem CID 18833173) has the molecular formula C29H24FN5O and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide.

Molecular Properties

• Compound Name: 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
• PubChem CID: 18833173
• Molecular Formula: C29H24FN5O
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.20
• IUPAC Name: 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
• SMILES: O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccc(/N=N/c2ccccc2)cc1
• InChI: InChI=1S/C29H24FN5O/c30-20-12-17-26-25(19-20)24(29(33-26)27-10-4-5-18-31-27)9-6-11-28(36)32-21-13-15-23(16-14-21)35-34-22-7-2-1-3-8-22/h1-5,7-8,10,12-19,33H,6,9,11H2,(H,32,36)/b35-34+
• InChIKey: SXGCNFCSLGZYMB-XAHDOWKMSA-N
• XLogP: 7.75
• TPSA: 82.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide?

The IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide (CID 18833173) is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide.

What is the SMILES notation for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide?

The canonical SMILES for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccc(/N=N/c2ccccc2)cc1.

What is the InChIKey of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide?

The InChIKey is SXGCNFCSLGZYMB-XAHDOWKMSA-N. The full InChI is InChI=1S/C29H24FN5O/c30-20-12-17-26-25(19-20)24(29(33-26)27-10-4-5-18-31-27)9-6-11-28(36)32-21-13-15-23(16-14-21)35-34-22-7-2-1-3-8-22/h1-5,7-8,10,12-19,33H,6,9,11H2,(H,32,36)/b35-34+.

What are the key properties of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide?

4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide has a molecular weight of 477.54 g/mol, XLogP of 7.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide is sourced from PubChem (CID 18833173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).