2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine

C17H12ClN3O — CID 70461397

IUPAC2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cc4ccccc4cc3Cl)nc2n1
InChIInChI=1S/C17H12ClN3O/c1-22-15-7-6-14-17(20-15)21-16(19-14)12-8-10-4-2-3-5-11(10)9-13(12)18/h2-9H,1H3,(H,19,20,21)
InChIKeyVNUMCIHWICEZSV-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.44
Rot. Bonds2

About 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine

2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 70461397) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID70461397
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cc4ccccc4cc3Cl)nc2n1
InChIInChI=1S/C17H12ClN3O/c1-22-15-7-6-14-17(20-15)21-16(19-14)12-8-10-4-2-3-5-11(10)9-13(12)18/h2-9H,1H3,(H,19,20,21)
InChIKeyVNUMCIHWICEZSV-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine 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 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 70461397) is 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(-c3cc4ccccc4cc3Cl)nc2n1.
What is the InChIKey of 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is VNUMCIHWICEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-22-15-7-6-14-17(20-15)21-16(19-14)12-8-10-4-2-3-5-11(10)9-13(12)18/h2-9H,1H3,(H,19,20,21).
What are the key properties of 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 309.76 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 70461397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).