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

C16H13N3O2 — CID 19822064

IUPAC2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESC#CCOc1c(OC)cccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C16H13N3O2/c1-3-10-21-14-11(6-4-8-13(14)20-2)15-18-12-7-5-9-17-16(12)19-15/h1,4-9H,10H2,2H3,(H,17,18,19)
InChIKeyILTRVXJPGZNKGR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.65
Rot. Bonds4

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

2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 19822064) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID19822064
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESC#CCOc1c(OC)cccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C16H13N3O2/c1-3-10-21-14-11(6-4-8-13(14)20-2)15-18-12-7-5-9-17-16(12)19-15/h1,4-9H,10H2,2H3,(H,17,18,19)
InChIKeyILTRVXJPGZNKGR-UHFFFAOYSA-N
XLogP2.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-2-prop-2-ynoxyphenyl)-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

Related Compounds

2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 13121469
2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 19822069
2-(4,6-dimethoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 14369069
2-(4-bromo-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 113296104
[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate
CID 10083598
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
CID 45259713
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole
CID 3307472
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
2-[1-(2-methoxyphenyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
CID 59784478

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 19822064) is 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine is C#CCOc1c(OC)cccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ILTRVXJPGZNKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-3-10-21-14-11(6-4-8-13(14)20-2)15-18-12-7-5-9-17-16(12)19-15/h1,4-9H,10H2,2H3,(H,17,18,19).
What are the key properties of 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 279.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 19822064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).