methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate

C25H24N4O4 — CID 56951510

IUPACmethyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate
SMILESCOC(=O)c1ccccc1CCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1
InChIInChI=1S/C25H24N4O4/c1-29-21-14-19(15-27-22(21)28-25(29)32)17-8-5-9-18(13-17)23(30)26-12-6-10-16-7-3-4-11-20(16)24(31)33-2/h3-5,7-9,11,13-15H,6,10,12H2,1-2H3,(H,26,30)(H,27,28,32)
InChIKeyQQPZGFOOEVEJSP-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.08
Rot. Bonds7

About methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate

methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate (PubChem CID 56951510) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate
PubChem CID56951510
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Namemethyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate
SMILESCOC(=O)c1ccccc1CCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1
InChIInChI=1S/C25H24N4O4/c1-29-21-14-19(15-27-22(21)28-25(29)32)17-8-5-9-18(13-17)23(30)26-12-6-10-16-7-3-4-11-20(16)24(31)33-2/h3-5,7-9,11,13-15H,6,10,12H2,1-2H3,(H,26,30)(H,27,28,32)
InChIKeyQQPZGFOOEVEJSP-UHFFFAOYSA-N
XLogP3.08
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate 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 methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate?
The IUPAC name of methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate (CID 56951510) is methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate.
What is the SMILES notation for methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate?
The canonical SMILES for methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate is COC(=O)c1ccccc1CCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1.
What is the InChIKey of methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate?
The InChIKey is QQPZGFOOEVEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-29-21-14-19(15-27-22(21)28-25(29)32)17-8-5-9-18(13-17)23(30)26-12-6-10-16-7-3-4-11-20(16)24(31)33-2/h3-5,7-9,11,13-15H,6,10,12H2,1-2H3,(H,26,30)(H,27,28,32).
What are the key properties of methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate?
methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate has a molecular weight of 444.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propyl]benzoate is sourced from PubChem (CID 56951510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).