3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one

C22H26N6O3 — CID 123409239

About 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one

3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one (PubChem CID 123409239) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one
• PubChem CID: 123409239
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one
• SMILES: CCc1c(O)[nH]c(=O)n1-c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1
• InChI: InChI=1S/C22H26N6O3/c1-4-17-20(29)25-22(31)28(17)18-6-5-16(13-23-18)21(30)27-9-7-26(8-10-27)19-15(3)11-14(2)12-24-19/h5-6,11-13,29H,4,7-10H2,1-3H3,(H,25,31)
• InChIKey: WYNVOSYHEZKYBD-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 107.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one?

The IUPAC name of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one (CID 123409239) is 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one.

What is the SMILES notation for 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one?

The canonical SMILES for 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one is CCc1c(O)[nH]c(=O)n1-c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1.

What is the InChIKey of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one?

The InChIKey is WYNVOSYHEZKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-4-17-20(29)25-22(31)28(17)18-6-5-16(13-23-18)21(30)27-9-7-26(8-10-27)19-15(3)11-14(2)12-24-19/h5-6,11-13,29H,4,7-10H2,1-3H3,(H,25,31).

What are the key properties of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one?

3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one has a molecular weight of 422.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 123409239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).