2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone

C21H14ClN5O2 — CID 118950906

IUPAC2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone
SMILESO=C(Cn1cnc2ncc(Cl)cc21)c1c[nH]c2cc(Oc3cccnc3)ccc12
InChIInChI=1S/C21H14ClN5O2/c22-13-6-19-21(25-8-13)26-12-27(19)11-20(28)17-10-24-18-7-14(3-4-16(17)18)29-15-2-1-5-23-9-15/h1-10,12,24H,11H2
InChIKeyMPUIFDILKWPFHY-UHFFFAOYSA-N
MW403.83 g/mol
LogP4.64
Rot. Bonds5

About 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone

2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone (PubChem CID 118950906) has the molecular formula C21H14ClN5O2 and a molecular weight of 403.83 g/mol. Its IUPAC name is 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone
PubChem CID118950906
Molecular FormulaC21H14ClN5O2
Molecular Weight403.83 g/mol
Exact Mass403.08
IUPAC Name2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone
SMILESO=C(Cn1cnc2ncc(Cl)cc21)c1c[nH]c2cc(Oc3cccnc3)ccc12
InChIInChI=1S/C21H14ClN5O2/c22-13-6-19-21(25-8-13)26-12-27(19)11-20(28)17-10-24-18-7-14(3-4-16(17)18)29-15-2-1-5-23-9-15/h1-10,12,24H,11H2
InChIKeyMPUIFDILKWPFHY-UHFFFAOYSA-N
XLogP4.64
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone (CID 118950906) is 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone is O=C(Cn1cnc2ncc(Cl)cc21)c1c[nH]c2cc(Oc3cccnc3)ccc12.
What is the InChIKey of 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone?
The InChIKey is MPUIFDILKWPFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O2/c22-13-6-19-21(25-8-13)26-12-27(19)11-20(28)17-10-24-18-7-14(3-4-16(17)18)29-15-2-1-5-23-9-15/h1-10,12,24H,11H2.
What are the key properties of 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone?
2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone has a molecular weight of 403.83 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 118950906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).