2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine

C16H13N5O2 — CID 11952503

IUPAC2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCCOc1nc2nc(-c3ccco3)c(-c3ccncn3)cc2[nH]1
InChIInChI=1S/C16H13N5O2/c1-2-22-16-19-12-8-10(11-5-6-17-9-18-11)14(20-15(12)21-16)13-4-3-7-23-13/h3-9H,2H2,1H3,(H,19,20,21)
InChIKeyYOMOZRVTZKVNMG-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.07
Rot. Bonds4

About 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine

2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 11952503) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID11952503
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCCOc1nc2nc(-c3ccco3)c(-c3ccncn3)cc2[nH]1
InChIInChI=1S/C16H13N5O2/c1-2-22-16-19-12-8-10(11-5-6-17-9-18-11)14(20-15(12)21-16)13-4-3-7-23-13/h3-9H,2H2,1H3,(H,19,20,21)
InChIKeyYOMOZRVTZKVNMG-UHFFFAOYSA-N
XLogP3.07
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine (CID 11952503) is 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine is CCOc1nc2nc(-c3ccco3)c(-c3ccncn3)cc2[nH]1.
What is the InChIKey of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is YOMOZRVTZKVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-2-22-16-19-12-8-10(11-5-6-17-9-18-11)14(20-15(12)21-16)13-4-3-7-23-13/h3-9H,2H2,1H3,(H,19,20,21).
What are the key properties of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine?
2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 307.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11952503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).