N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide

C23H22BrN5O2 — CID 70695760

IUPACN-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCCCNC(=O)c4ccccc4)c3[nH]2)cc1
InChIInChI=1S/C23H22BrN5O2/c1-31-17-10-8-15(9-11-17)21-28-20-19(18(24)14-27-22(20)29-21)25-12-5-13-26-23(30)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,26,30)(H2,25,27,28,29)
InChIKeyGRIONNZJVZNNLU-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.63
Rot. Bonds8

About N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide

N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide (PubChem CID 70695760) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide
PubChem CID70695760
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC NameN-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCCCNC(=O)c4ccccc4)c3[nH]2)cc1
InChIInChI=1S/C23H22BrN5O2/c1-31-17-10-8-15(9-11-17)21-28-20-19(18(24)14-27-22(20)29-21)25-12-5-13-26-23(30)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,26,30)(H2,25,27,28,29)
InChIKeyGRIONNZJVZNNLU-UHFFFAOYSA-N
XLogP4.63
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide 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-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide?
The IUPAC name of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide (CID 70695760) is N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide.
What is the SMILES notation for N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide?
The canonical SMILES for N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide is COc1ccc(-c2nc3ncc(Br)c(NCCCNC(=O)c4ccccc4)c3[nH]2)cc1.
What is the InChIKey of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide?
The InChIKey is GRIONNZJVZNNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-31-17-10-8-15(9-11-17)21-28-20-19(18(24)14-27-22(20)29-21)25-12-5-13-26-23(30)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,26,30)(H2,25,27,28,29).
What are the key properties of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide?
N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide has a molecular weight of 480.37 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]benzamide is sourced from PubChem (CID 70695760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).