5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

C26H27N5O3 — CID 11201934

IUPAC5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESN#Cc1cc2c(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c[nH]c2cc1O
InChIInChI=1S/C26H27N5O3/c27-15-19-12-21-17(16-29-22(21)14-23(19)32)3-1-2-6-30-7-9-31(10-8-30)20-4-5-24-18(11-20)13-25(34-24)26(28)33/h4-5,11-14,16,29,32H,1-3,6-10H2,(H2,28,33)
InChIKeyMNIHRTDFBFRLJY-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.74
Rot. Bonds7

About 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 11201934) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID11201934
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESN#Cc1cc2c(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c[nH]c2cc1O
InChIInChI=1S/C26H27N5O3/c27-15-19-12-21-17(16-29-22(21)14-23(19)32)3-1-2-6-30-7-9-31(10-8-30)20-4-5-24-18(11-20)13-25(34-24)26(28)33/h4-5,11-14,16,29,32H,1-3,6-10H2,(H2,28,33)
InChIKeyMNIHRTDFBFRLJY-UHFFFAOYSA-N
XLogP3.74
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 11201934) is 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is N#Cc1cc2c(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c[nH]c2cc1O.
What is the InChIKey of 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is MNIHRTDFBFRLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c27-15-19-12-21-17(16-29-22(21)14-23(19)32)3-1-2-6-30-7-9-31(10-8-30)20-4-5-24-18(11-20)13-25(34-24)26(28)33/h4-5,11-14,16,29,32H,1-3,6-10H2,(H2,28,33).
What are the key properties of 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11201934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).