1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

C18H17N7O3 — CID 68905323

IUPAC1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(OC)no3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H17N7O3/c1-3-20-17(26)22-14-10-25-13(16-23-18(27-2)24-28-16)7-12(8-15(25)21-14)11-5-4-6-19-9-11/h4-10H,3H2,1-2H3,(H2,20,22,26)
InChIKeyUUVCKZFJOFFTOY-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.60
Rot. Bonds5

About 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 68905323) has the molecular formula C18H17N7O3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID68905323
Molecular FormulaC18H17N7O3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(OC)no3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H17N7O3/c1-3-20-17(26)22-14-10-25-13(16-23-18(27-2)24-28-16)7-12(8-15(25)21-14)11-5-4-6-19-9-11/h4-10H,3H2,1-2H3,(H2,20,22,26)
InChIKeyUUVCKZFJOFFTOY-UHFFFAOYSA-N
XLogP2.60
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 68905323) is 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3nc(OC)no3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is UUVCKZFJOFFTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O3/c1-3-20-17(26)22-14-10-25-13(16-23-18(27-2)24-28-16)7-12(8-15(25)21-14)11-5-4-6-19-9-11/h4-10H,3H2,1-2H3,(H2,20,22,26).
What are the key properties of 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 379.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(3-methoxy-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 68905323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).