N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

C27H35N5O3 — CID 155545211

IUPACN-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C27H35N5O3/c1-2-3-4-8-21-10-12-22(13-11-21)26(33)30-25-24(32-16-6-5-9-23(32)29-25)27(34)28-14-7-15-31-17-19-35-20-18-31/h5-6,9-13,16H,2-4,7-8,14-15,17-20H2,1H3,(H,28,34)(H,30,33)
InChIKeyLZFOMQCCVWUIBB-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.77
Rot. Bonds11

About N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155545211) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155545211
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C27H35N5O3/c1-2-3-4-8-21-10-12-22(13-11-21)26(33)30-25-24(32-16-6-5-9-23(32)29-25)27(34)28-14-7-15-31-17-19-35-20-18-31/h5-6,9-13,16H,2-4,7-8,14-15,17-20H2,1H3,(H,28,34)(H,30,33)
InChIKeyLZFOMQCCVWUIBB-UHFFFAOYSA-N
XLogP3.77
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-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 N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155545211) is N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is CCCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LZFOMQCCVWUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-2-3-4-8-21-10-12-22(13-11-21)26(33)30-25-24(32-16-6-5-9-23(32)29-25)27(34)28-14-7-15-31-17-19-35-20-18-31/h5-6,9-13,16H,2-4,7-8,14-15,17-20H2,1H3,(H,28,34)(H,30,33).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.77, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-[(4-pentylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155545211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).