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

C18H17N7O2 — CID 11302976

IUPAC1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(C)no3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H17N7O2/c1-3-20-18(26)23-15-10-25-14(17-21-11(2)24-27-17)7-13(8-16(25)22-15)12-5-4-6-19-9-12/h4-10H,3H2,1-2H3,(H2,20,23,26)
InChIKeyMPUVRPFRVLBHIL-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.90
Rot. Bonds4

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

1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 11302976) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-ethyl-3-[5-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID11302976
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(C)no3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H17N7O2/c1-3-20-18(26)23-15-10-25-14(17-21-11(2)24-27-17)7-13(8-16(25)22-15)12-5-4-6-19-9-12/h4-10H,3H2,1-2H3,(H2,20,23,26)
InChIKeyMPUVRPFRVLBHIL-UHFFFAOYSA-N
XLogP2.90
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 11302976) is 1-ethyl-3-[5-(3-methyl-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-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3nc(C)no3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is MPUVRPFRVLBHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-3-20-18(26)23-15-10-25-14(17-21-11(2)24-27-17)7-13(8-16(25)22-15)12-5-4-6-19-9-12/h4-10H,3H2,1-2H3,(H2,20,23,26).
What are the key properties of 1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 363.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 11302976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).