Pranlukast

C₂₇H₂₃N₅O₄ — CID 4887

About Pranlukast

Pranlukast (PubChem CID 4887) has the molecular formula C₂₇H₂₃N₅O₄ and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide.

Molecular Properties

• Compound Name: Pranlukast
• PubChem CID: 4887
• Molecular Formula: C₂₇H₂₃N₅O₄
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.18
• IUPAC Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
• SMILES: O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1
• InChI: InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
• InChIKey: NBQKINXMPLXUET-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 123.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Pranlukast?

The IUPAC name of Pranlukast (CID 4887) is N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide.

What is the SMILES notation for Pranlukast?

The canonical SMILES for Pranlukast is O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1.

What is the InChIKey of Pranlukast?

The InChIKey is NBQKINXMPLXUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32).

What are the key properties of Pranlukast?

Pranlukast has a molecular weight of 481.51 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Pranlukast is sourced from PubChem (CID 4887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4887 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2237 — approved-drug record (CC BY-SA 4.0)

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