2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine

C15H14Cl2N4O — CID 162672637

IUPAC2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(CCCOc3cnc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H14Cl2N4O/c1-9-5-12-15(19-7-9)21-13(20-12)3-2-4-22-10-6-11(16)14(17)18-8-10/h5-8H,2-4H2,1H3,(H,19,20,21)
InChIKeyLSGIHZNVRNMBCO-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.98
Rot. Bonds5

About 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine

2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 162672637) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID162672637
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(CCCOc3cnc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H14Cl2N4O/c1-9-5-12-15(19-7-9)21-13(20-12)3-2-4-22-10-6-11(16)14(17)18-8-10/h5-8H,2-4H2,1H3,(H,19,20,21)
InChIKeyLSGIHZNVRNMBCO-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-9-[(5-methoxy-4,6-dimethylpyridin-3-yl)methyl]-9H-purin-2-amine
CID 16735061
6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
3-Chloro-8-(2,6-dichlorobenzyloxy)-2-methylimidazo[1,2-a]pyridine
CID 10569271
O6-Substituted Guanine Deriv. 58
CID 5329539
6-Chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;hydrochloride
CID 45263522
6-chloro-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
CID 127041859
6-chloro-2-phenyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
CID 162656663
N-(5-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548219
5-chloro-N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548381
6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine
CID 162666139
6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine
CID 162671156

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine (CID 162672637) is 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(CCCOc3cnc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LSGIHZNVRNMBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-9-5-12-15(19-7-9)21-13(20-12)3-2-4-22-10-6-11(16)14(17)18-8-10/h5-8H,2-4H2,1H3,(H,19,20,21).
What are the key properties of 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 337.21 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162672637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).