1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]

C25H26N2O — CID 67312055

IUPAC1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]
SMILESCCCCCN1CC2(COc3ccc(-c4cccnc4)cc32)c2ccccc21
InChIInChI=1S/C25H26N2O/c1-2-3-6-14-27-17-25(21-9-4-5-10-23(21)27)18-28-24-12-11-19(15-22(24)25)20-8-7-13-26-16-20/h4-5,7-13,15-16H,2-3,6,14,17-18H2,1H3
InChIKeyWJWNVLMGJMHUKT-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.44
Rot. Bonds5

About 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]

1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole] (PubChem CID 67312055) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole].

Molecular Properties

Compound Name1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]
PubChem CID67312055
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]
SMILESCCCCCN1CC2(COc3ccc(-c4cccnc4)cc32)c2ccccc21
InChIInChI=1S/C25H26N2O/c1-2-3-6-14-27-17-25(21-9-4-5-10-23(21)27)18-28-24-12-11-19(15-22(24)25)20-8-7-13-26-16-20/h4-5,7-13,15-16H,2-3,6,14,17-18H2,1H3
InChIKeyWJWNVLMGJMHUKT-UHFFFAOYSA-N
XLogP5.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]?
The IUPAC name of 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole] (CID 67312055) is 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole].
What is the SMILES notation for 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]?
The canonical SMILES for 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole] is CCCCCN1CC2(COc3ccc(-c4cccnc4)cc32)c2ccccc21.
What is the InChIKey of 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]?
The InChIKey is WJWNVLMGJMHUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-3-6-14-27-17-25(21-9-4-5-10-23(21)27)18-28-24-12-11-19(15-22(24)25)20-8-7-13-26-16-20/h4-5,7-13,15-16H,2-3,6,14,17-18H2,1H3.
What are the key properties of 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]?
1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole] has a molecular weight of 370.50 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole] is sourced from PubChem (CID 67312055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).