4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one

C22H29N5O4S — CID 51348063

About 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one

4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one (PubChem CID 51348063) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one
• PubChem CID: 51348063
• Molecular Formula: C22H29N5O4S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.19
• IUPAC Name: 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one
• SMILES: CC(C)c1ccc(CN2CC(Oc3cnc(N4CCN(S(C)(=O)=O)CC4=O)cn3)C2)cc1
• InChI: InChI=1S/C22H29N5O4S/c1-16(2)18-6-4-17(5-7-18)12-25-13-19(14-25)31-21-11-23-20(10-24-21)27-9-8-26(15-22(27)28)32(3,29)30/h4-7,10-11,16,19H,8-9,12-15H2,1-3H3
• InChIKey: FSVQMSDKVKBPQA-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 95.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?

The IUPAC name of 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one (CID 51348063) is 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one.

What is the SMILES notation for 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?

The canonical SMILES for 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one is CC(C)c1ccc(CN2CC(Oc3cnc(N4CCN(S(C)(=O)=O)CC4=O)cn3)C2)cc1.

What is the InChIKey of 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?

The InChIKey is FSVQMSDKVKBPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-16(2)18-6-4-17(5-7-18)12-25-13-19(14-25)31-21-11-23-20(10-24-21)27-9-8-26(15-22(27)28)32(3,29)30/h4-7,10-11,16,19H,8-9,12-15H2,1-3H3.

What are the key properties of 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?

4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one has a molecular weight of 459.57 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methylsulfonyl-1-[5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one is sourced from PubChem (CID 51348063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).