2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol

C20H15ClN4O3 — CID 167034535

IUPAC2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol
SMILESCCOC1=NC(c2nc3ccc(Cl)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C20H15ClN4O3/c1-3-28-17-9-4-6-12(22-17)19-23-13-10-11-16(21)24-20(13)25(19)18-14(26)7-5-8-15(18)27-2/h5,7-11,26H,3H2,1-2H3
InChIKeyBHUFBVAYYAYAOE-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.89
Rot. Bonds4

About 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol

2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol (PubChem CID 167034535) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol
PubChem CID167034535
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol
SMILESCCOC1=NC(c2nc3ccc(Cl)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C20H15ClN4O3/c1-3-28-17-9-4-6-12(22-17)19-23-13-10-11-16(21)24-20(13)25(19)18-14(26)7-5-8-15(18)27-2/h5,7-11,26H,3H2,1-2H3
InChIKeyBHUFBVAYYAYAOE-UHFFFAOYSA-N
XLogP3.89
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol?
The IUPAC name of 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol (CID 167034535) is 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol.
What is the SMILES notation for 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol?
The canonical SMILES for 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol is CCOC1=NC(c2nc3ccc(Cl)nc3n2-c2c(O)cccc2OC)=C=C=C1.
What is the InChIKey of 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol?
The InChIKey is BHUFBVAYYAYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-3-28-17-9-4-6-12(22-17)19-23-13-10-11-16(21)24-20(13)25(19)18-14(26)7-5-8-15(18)27-2/h5,7-11,26H,3H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol?
2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol has a molecular weight of 394.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol is sourced from PubChem (CID 167034535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).