3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide

C23H26N8O3S — CID 68872340

IUPAC3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)NCCN4CCSCC4)c3)cc21
InChIInChI=1S/C23H26N8O3S/c1-2-31-18-13-19(26-14-17(18)27-22(31)20-21(24)29-34-28-20)33-16-5-3-4-15(12-16)23(32)25-6-7-30-8-10-35-11-9-30/h3-5,12-14H,2,6-11H2,1H3,(H2,24,29)(H,25,32)
InChIKeyTZDWRGAVGHRLOX-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.65
Rot. Bonds8

About 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide (PubChem CID 68872340) has the molecular formula C23H26N8O3S and a molecular weight of 494.58 g/mol. Its IUPAC name is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide
PubChem CID68872340
Molecular FormulaC23H26N8O3S
Molecular Weight494.58 g/mol
Exact Mass494.18
IUPAC Name3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)NCCN4CCSCC4)c3)cc21
InChIInChI=1S/C23H26N8O3S/c1-2-31-18-13-19(26-14-17(18)27-22(31)20-21(24)29-34-28-20)33-16-5-3-4-15(12-16)23(32)25-6-7-30-8-10-35-11-9-30/h3-5,12-14H,2,6-11H2,1H3,(H2,24,29)(H,25,32)
InChIKeyTZDWRGAVGHRLOX-UHFFFAOYSA-N
XLogP2.65
TPSA137.22 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide (CID 68872340) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)NCCN4CCSCC4)c3)cc21.
What is the InChIKey of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
The InChIKey is TZDWRGAVGHRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3S/c1-2-31-18-13-19(26-14-17(18)27-22(31)20-21(24)29-34-28-20)33-16-5-3-4-15(12-16)23(32)25-6-7-30-8-10-35-11-9-30/h3-5,12-14H,2,6-11H2,1H3,(H2,24,29)(H,25,32).
What are the key properties of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide has a molecular weight of 494.58 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-thiomorpholin-4-ylethyl)benzamide is sourced from PubChem (CID 68872340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).