carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate

C19H16N8O5 — CID 91596822

IUPACcarbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCNC(=O)Nc1cn2c(-c3noc(C(=O)OC(N)=O)n3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C19H16N8O5/c1-2-22-19(30)24-13-9-27-12(15-25-16(32-26-15)17(28)31-18(20)29)6-11(7-14(27)23-13)10-4-3-5-21-8-10/h3-9H,2H2,1H3,(H2,20,29)(H2,22,24,30)
InChIKeyQASRORVRCWZNDI-UHFFFAOYSA-N
MW436.39 g/mol
LogP1.82
Rot. Bonds5

About carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate

carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 91596822) has the molecular formula C19H16N8O5 and a molecular weight of 436.39 g/mol. Its IUPAC name is carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Namecarbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID91596822
Molecular FormulaC19H16N8O5
Molecular Weight436.39 g/mol
Exact Mass436.12
IUPAC Namecarbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCNC(=O)Nc1cn2c(-c3noc(C(=O)OC(N)=O)n3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C19H16N8O5/c1-2-22-19(30)24-13-9-27-12(15-25-16(32-26-15)17(28)31-18(20)29)6-11(7-14(27)23-13)10-4-3-5-21-8-10/h3-9H,2H2,1H3,(H2,20,29)(H2,22,24,30)
InChIKeyQASRORVRCWZNDI-UHFFFAOYSA-N
XLogP1.82
TPSA179.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 44555361
1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 45484816
1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 45484763
1-[5-(cyclopropanecarbonyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 68901891
1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl]urea
CID 68901370
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 68835563
1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835902
1-ethyl-3-[5-(methylsulfanylmethyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68838129
1-[5-(2,3-dimethylimidazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
CID 68839047
1-ethyl-3-[5-(2-methyl-1,3-thiazol-5-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835955
methyl 2-(ethylcarbamoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate
CID 68756538

Frequently Asked Questions

What is the IUPAC name of carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate (CID 91596822) is carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate is CCNC(=O)Nc1cn2c(-c3noc(C(=O)OC(N)=O)n3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is QASRORVRCWZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O5/c1-2-22-19(30)24-13-9-27-12(15-25-16(32-26-15)17(28)31-18(20)29)6-11(7-14(27)23-13)10-4-3-5-21-8-10/h3-9H,2H2,1H3,(H2,20,29)(H2,22,24,30).
What are the key properties of carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate?
carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 436.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 91596822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).