3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole

C19H14N6O2 — CID 14071982

IUPAC3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc3c(cn2)[nH]c2cccc(Oc4cnccn4)c23)n1
InChIInChI=1S/C19H14N6O2/c1-2-16-24-19(27-25-16)13-8-11-14(9-22-13)23-12-4-3-5-15(18(11)12)26-17-10-20-6-7-21-17/h3-10,23H,2H2,1H3
InChIKeyHXTQNFLZUWKGEM-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.91
Rot. Bonds4

About 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole

3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole (PubChem CID 14071982) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole
PubChem CID14071982
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc3c(cn2)[nH]c2cccc(Oc4cnccn4)c23)n1
InChIInChI=1S/C19H14N6O2/c1-2-16-24-19(27-25-16)13-8-11-14(9-22-13)23-12-4-3-5-15(18(11)12)26-17-10-20-6-7-21-17/h3-10,23H,2H2,1H3
InChIKeyHXTQNFLZUWKGEM-UHFFFAOYSA-N
XLogP3.91
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole (CID 14071982) is 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole is CCc1noc(-c2cc3c(cn2)[nH]c2cccc(Oc4cnccn4)c23)n1.
What is the InChIKey of 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole?
The InChIKey is HXTQNFLZUWKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-2-16-24-19(27-25-16)13-8-11-14(9-22-13)23-12-4-3-5-15(18(11)12)26-17-10-20-6-7-21-17/h3-10,23H,2H2,1H3.
What are the key properties of 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole?
3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole has a molecular weight of 358.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14071982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).