1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

C25H24N2O2 — CID 59263356

IUPAC1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(COc3ccc(-c4ccncc4)cc32)c2ccccc21
InChIInChI=1S/C25H24N2O2/c1-2-3-6-15-27-22-8-5-4-7-20(22)25(24(27)28)17-29-23-10-9-19(16-21(23)25)18-11-13-26-14-12-18/h4-5,7-14,16H,2-3,6,15,17H2,1H3
InChIKeyBYHCUPIXPFLNOT-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.96
Rot. Bonds5

About 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59263356) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59263356
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(COc3ccc(-c4ccncc4)cc32)c2ccccc21
InChIInChI=1S/C25H24N2O2/c1-2-3-6-15-27-22-8-5-4-7-20(22)25(24(27)28)17-29-23-10-9-19(16-21(23)25)18-11-13-26-14-12-18/h4-5,7-14,16H,2-3,6,15,17H2,1H3
InChIKeyBYHCUPIXPFLNOT-UHFFFAOYSA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.96
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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Related Compounds

1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 58468033
5-chloro-6-fluoro-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263479
6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263516
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]heptanamide
CID 66642249
1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 11848303
1'-pentyl-4'-(pyrimidin-4-ylamino)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641998
4'-(4-fluorophenyl)-1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642016
4'-(4-methoxy-3-pyridinyl)-1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641958
1'-pentyl-4'-quinolin-6-ylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642232
4'-(2-methoxy-3-pyridinyl)-1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641912

Frequently Asked Questions

What is the IUPAC name of 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59263356) is 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is CCCCCN1C(=O)C2(COc3ccc(-c4ccncc4)cc32)c2ccccc21.
What is the InChIKey of 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is BYHCUPIXPFLNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-3-6-15-27-22-8-5-4-7-20(22)25(24(27)28)17-29-23-10-9-19(16-21(23)25)18-11-13-26-14-12-18/h4-5,7-14,16H,2-3,6,15,17H2,1H3.
What are the key properties of 1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 384.48 g/mol, XLogP of 4.96, 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-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59263356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).