[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea

C17H26N6O4S — CID 140555868

About [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea

[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea (PubChem CID 140555868) has the molecular formula C17H26N6O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea.

Molecular Properties

• Compound Name: [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea
• PubChem CID: 140555868
• Molecular Formula: C17H26N6O4S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.17
• IUPAC Name: [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea
• SMILES: Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CCS(C)=O)NC(N)=O)CC1)C2
• InChI: InChI=1S/C17H26N6O4S/c1-11-19-9-13-10-22(17(26)23(11)13)12-3-6-21(7-4-12)15(24)14(20-16(18)25)5-8-28(2)27/h9,12,14H,3-8,10H2,1-2H3,(H3,18,20,25)/t14-,28?/m1/s1
• InChIKey: FRDDZMIXSHGATO-JZNOQINNSA-N
• XLogP: -0.23
• TPSA: 130.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea?

The IUPAC name of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea (CID 140555868) is [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea.

What is the SMILES notation for [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea?

The canonical SMILES for [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CCS(C)=O)NC(N)=O)CC1)C2.

What is the InChIKey of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea?

The InChIKey is FRDDZMIXSHGATO-JZNOQINNSA-N. The full InChI is InChI=1S/C17H26N6O4S/c1-11-19-9-13-10-22(17(26)23(11)13)12-3-6-21(7-4-12)15(24)14(20-16(18)25)5-8-28(2)27/h9,12,14H,3-8,10H2,1-2H3,(H3,18,20,25)/t14-,28?/m1/s1.

What are the key properties of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea?

[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea has a molecular weight of 410.50 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfinyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 140555868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).