4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide

C23H25N7O4 — CID 156773409

IUPAC4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
SMILESNCCOCCOCC(=O)Nc1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C23H25N7O4/c24-7-10-33-11-12-34-15-22(31)26-18-3-1-17(2-4-18)23(32)28-20-14-30-13-19(5-6-21(30)27-20)29-9-8-25-16-29/h1-6,8-9,13-14,16H,7,10-12,15,24H2,(H,26,31)(H,28,32)
InChIKeyBPEZMRIOJRMLPE-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.70
Rot. Bonds11

About 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide

4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide (PubChem CID 156773409) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
PubChem CID156773409
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
SMILESNCCOCCOCC(=O)Nc1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C23H25N7O4/c24-7-10-33-11-12-34-15-22(31)26-18-3-1-17(2-4-18)23(32)28-20-14-30-13-19(5-6-21(30)27-20)29-9-8-25-16-29/h1-6,8-9,13-14,16H,7,10-12,15,24H2,(H,26,31)(H,28,32)
InChIKeyBPEZMRIOJRMLPE-UHFFFAOYSA-N
XLogP1.70
TPSA137.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;methanesulfonic acid
CID 86638590
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661327
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide
CID 59175475
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
CID 59175461
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-imidazol-1-ylbenzamide
CID 59252090
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide
CID 58408594
4-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 167969913
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide
CID 59175622
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
The IUPAC name of 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide (CID 156773409) is 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
The canonical SMILES for 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide is NCCOCCOCC(=O)Nc1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
The InChIKey is BPEZMRIOJRMLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c24-7-10-33-11-12-34-15-22(31)26-18-3-1-17(2-4-18)23(32)28-20-14-30-13-19(5-6-21(30)27-20)29-9-8-25-16-29/h1-6,8-9,13-14,16H,7,10-12,15,24H2,(H,26,31)(H,28,32).
What are the key properties of 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide has a molecular weight of 463.50 g/mol, XLogP of 1.70, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 156773409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).