3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C19H20F3N7O2S — CID 139343656

About 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343656) has the molecular formula C19H20F3N7O2S and a molecular weight of 467.48 g/mol. Its IUPAC name is 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 139343656
• Molecular Formula: C19H20F3N7O2S
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.14
• IUPAC Name: 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: CS(=O)(=O)N1CCC2(CC1)CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2
• InChI: InChI=1S/C19H20F3N7O2S/c1-32(30,31)28-6-3-18(4-7-28)11-27(12-18)15-2-5-23-17(26-15)13-8-25-16-9-24-14(10-29(13)16)19(20,21)22/h2,5,8-10H,3-4,6-7,11-12H2,1H3
• InChIKey: BWVLTOPFWKLVCR-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 96.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The IUPAC name of 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343656) is 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

What is the SMILES notation for 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The canonical SMILES for 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CS(=O)(=O)N1CCC2(CC1)CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2.

What is the InChIKey of 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The InChIKey is BWVLTOPFWKLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2S/c1-32(30,31)28-6-3-18(4-7-28)11-27(12-18)15-2-5-23-17(26-15)13-8-25-16-9-24-14(10-29(13)16)19(20,21)22/h2,5,8-10H,3-4,6-7,11-12H2,1H3.

What are the key properties of 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 467.48 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).