[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone

C15H18N8O2 — CID 25023717

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCNCC3)c21
InChIInChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-5-3-17-4-6-22)7-18-8-10(12)19-14(23)11-13(16)21-25-20-11/h7-8,17H,2-6H2,1H3,(H2,16,21)
InChIKeyCUAJADFGIOFJQT-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.13
Rot. Bonds3

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone

[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone (PubChem CID 25023717) has the molecular formula C15H18N8O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone
PubChem CID25023717
Molecular FormulaC15H18N8O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCNCC3)c21
InChIInChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-5-3-17-4-6-22)7-18-8-10(12)19-14(23)11-13(16)21-25-20-11/h7-8,17H,2-6H2,1H3,(H2,16,21)
InChIKeyCUAJADFGIOFJQT-UHFFFAOYSA-N
XLogP0.13
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone (CID 25023717) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone is CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCNCC3)c21.
What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone?
The InChIKey is CUAJADFGIOFJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-5-3-17-4-6-22)7-18-8-10(12)19-14(23)11-13(16)21-25-20-11/h7-8,17H,2-6H2,1H3,(H2,16,21).
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone?
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone has a molecular weight of 342.36 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 25023717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).