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

C18H18N8O2 — CID 68903854

IUPAC1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(NC)no3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H18N8O2/c1-3-21-18(27)23-14-10-26-13(16-24-17(19-2)25-28-16)7-12(8-15(26)22-14)11-5-4-6-20-9-11/h4-10H,3H2,1-2H3,(H,19,25)(H2,21,23,27)
InChIKeySODAPKGEILOMPD-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.63
Rot. Bonds5

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

1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 68903854) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-ethyl-3-[5-[3-(methylamino)-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-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID68903854
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(NC)no3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H18N8O2/c1-3-21-18(27)23-14-10-26-13(16-24-17(19-2)25-28-16)7-12(8-15(26)22-14)11-5-4-6-20-9-11/h4-10H,3H2,1-2H3,(H,19,25)(H2,21,23,27)
InChIKeySODAPKGEILOMPD-UHFFFAOYSA-N
XLogP2.63
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[3-(methylamino)-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-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 68903854) is 1-ethyl-3-[5-[3-(methylamino)-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-(methylamino)-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-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3nc(NC)no3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is SODAPKGEILOMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-3-21-18(27)23-14-10-26-13(16-24-17(19-2)25-28-16)7-12(8-15(26)22-14)11-5-4-6-20-9-11/h4-10H,3H2,1-2H3,(H,19,25)(H2,21,23,27).
What are the key properties of 1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 378.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[3-(methylamino)-1,2,4-oxadiazol-5-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 68903854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).