5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

C32H38N6O3 — CID 69418586

IUPAC5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(=O)NCCN6CCOCC6)cc5c4)CC3)c2c1
InChIInChI=1S/C32H38N6O3/c33-22-24-4-6-29-28(19-24)25(23-35-29)3-1-2-9-36-11-13-38(14-12-36)27-5-7-30-26(20-27)21-31(41-30)32(39)34-8-10-37-15-17-40-18-16-37/h4-7,19-21,23,35H,1-3,8-18H2,(H,34,39)
InChIKeyRARQYFYEEGXZMD-UHFFFAOYSA-N
MW554.70 g/mol
LogP3.99
Rot. Bonds10

About 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 69418586) has the molecular formula C32H38N6O3 and a molecular weight of 554.70 g/mol. Its IUPAC name is 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID69418586
Molecular FormulaC32H38N6O3
Molecular Weight554.70 g/mol
Exact Mass554.30
IUPAC Name5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(=O)NCCN6CCOCC6)cc5c4)CC3)c2c1
InChIInChI=1S/C32H38N6O3/c33-22-24-4-6-29-28(19-24)25(23-35-29)3-1-2-9-36-11-13-38(14-12-36)27-5-7-30-26(20-27)21-31(41-30)32(39)34-8-10-37-15-17-40-18-16-37/h4-7,19-21,23,35H,1-3,8-18H2,(H,34,39)
InChIKeyRARQYFYEEGXZMD-UHFFFAOYSA-N
XLogP3.99
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.70
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-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-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 69418586) is 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(=O)NCCN6CCOCC6)cc5c4)CC3)c2c1.
What is the InChIKey of 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is RARQYFYEEGXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3/c33-22-24-4-6-29-28(19-24)25(23-35-29)3-1-2-9-36-11-13-38(14-12-36)27-5-7-30-26(20-27)21-31(41-30)32(39)34-8-10-37-15-17-40-18-16-37/h4-7,19-21,23,35H,1-3,8-18H2,(H,34,39).
What are the key properties of 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 554.70 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 69418586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).