2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine

C17H15N3O3 — CID 13121469

IUPAC2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESC#CCOc1c(OC)cc(-c2nc3ncccc3[nH]2)cc1OC
InChIInChI=1S/C17H15N3O3/c1-4-8-23-15-13(21-2)9-11(10-14(15)22-3)16-19-12-6-5-7-18-17(12)20-16/h1,5-7,9-10H,8H2,2-3H3,(H,18,19,20)
InChIKeyZUXDCJZGZRSQBJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds5

About 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine

2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 13121469) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID13121469
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESC#CCOc1c(OC)cc(-c2nc3ncccc3[nH]2)cc1OC
InChIInChI=1S/C17H15N3O3/c1-4-8-23-15-13(21-2)9-11(10-14(15)22-3)16-19-12-6-5-7-18-17(12)20-16/h1,5-7,9-10H,8H2,2-3H3,(H,18,19,20)
InChIKeyZUXDCJZGZRSQBJ-UHFFFAOYSA-N
XLogP2.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 13121469) is 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine is C#CCOc1c(OC)cc(-c2nc3ncccc3[nH]2)cc1OC.
What is the InChIKey of 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZUXDCJZGZRSQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-4-8-23-15-13(21-2)9-11(10-14(15)22-3)16-19-12-6-5-7-18-17(12)20-16/h1,5-7,9-10H,8H2,2-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 309.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 13121469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).