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

C29H24FN5O — CID 18833173

IUPAC4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=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+
InChIKeySXGCNFCSLGZYMB-XAHDOWKMSA-N
MW477.54 g/mol
LogP7.75
Rot. Bonds8

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 Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
PubChem CID18833173
Molecular FormulaC29H24FN5O
Molecular Weight477.54 g/mol
Exact Mass477.20
IUPAC Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=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+
InChIKeySXGCNFCSLGZYMB-XAHDOWKMSA-N
XLogP7.75
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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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).