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'}

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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).