[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

C16H16ClN5O4 — CID 55305271

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (PubChem CID 55305271) has the molecular formula C16H16ClN5O4 and a molecular weight of 377.79 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
• PubChem CID: 55305271
• Molecular Formula: C16H16ClN5O4
• Molecular Weight: 377.79 g/mol
• Exact Mass: 377.09
• IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)N3CCNC3=O)n2)n1
• InChI: InChI=1S/C16H16ClN5O4/c1-9-7-10(2)22(20-9)12-4-3-11(17)14(19-12)15(24)26-8-13(23)21-6-5-18-16(21)25/h3-4,7H,5-6,8H2,1-2H3,(H,18,25)
• InChIKey: PCAZVCPNFHRPTM-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.79
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?

The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (CID 55305271) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.

What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?

The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)N3CCNC3=O)n2)n1.

What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?

The InChIKey is PCAZVCPNFHRPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O4/c1-9-7-10(2)22(20-9)12-4-3-11(17)14(19-12)15(24)26-8-13(23)21-6-5-18-16(21)25/h3-4,7H,5-6,8H2,1-2H3,(H,18,25).

What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate has a molecular weight of 377.79 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 55305271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).