(7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane

C21H20F3N5O3S — CID 162059193

About (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane

(7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane (PubChem CID 162059193) has the molecular formula C21H20F3N5O3S and a molecular weight of 479.48 g/mol. Its IUPAC name is (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane.

Molecular Properties

• Compound Name: (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
• PubChem CID: 162059193
• Molecular Formula: C21H20F3N5O3S
• Molecular Weight: 479.48 g/mol
• Exact Mass: 479.12
• IUPAC Name: (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
• SMILES: COc1cncc(C(=O)Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)n1.S
• InChI: InChI=1S/C21H18F3N5O3.H2S/c1-12-11-28(15-5-3-14(4-6-15)21(22,23)24)20(31)19-13(8-26-29(12)19)7-17(30)16-9-25-10-18(27-16)32-2;/h3-6,8-10,12H,7,11H2,1-2H3;1H2/t12-;/m0./s1
• InChIKey: YZPDOLMOVQWRGD-YDALLXLXSA-N
• XLogP: 3.46
• TPSA: 90.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.48
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane?

The IUPAC name of (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane (CID 162059193) is (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane.

What is the SMILES notation for (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane?

The canonical SMILES for (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane is COc1cncc(C(=O)Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)n1.S.

What is the InChIKey of (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane?

The InChIKey is YZPDOLMOVQWRGD-YDALLXLXSA-N. The full InChI is InChI=1S/C21H18F3N5O3.H2S/c1-12-11-28(15-5-3-14(4-6-15)21(22,23)24)20(31)19-13(8-26-29(12)19)7-17(30)16-9-25-10-18(27-16)32-2;/h3-6,8-10,12H,7,11H2,1-2H3;1H2/t12-;/m0./s1.

What are the key properties of (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane?

(7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane has a molecular weight of 479.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-[2-(6-methoxypyrazin-2-yl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane is sourced from PubChem (CID 162059193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).