N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide

C25H30F3N7O3S — CID 166982869

About N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide

N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 166982869) has the molecular formula C25H30F3N7O3S and a molecular weight of 565.62 g/mol. Its IUPAC name is N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide
• PubChem CID: 166982869
• Molecular Formula: C25H30F3N7O3S
• Molecular Weight: 565.62 g/mol
• Exact Mass: 565.21
• IUPAC Name: N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide
• SMILES: Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(NS(=O)(=O)CC(F)(F)F)CC2)c1
• InChI: InChI=1S/C25H30F3N7O3S/c1-16-9-17(11-18(10-16)24(5-6-24)33-39(36,37)15-25(26,27)28)21-13-30-22(29)23(32-21)38-20-12-31-35(14-20)19-3-7-34(2)8-4-19/h9-14,19,33H,3-8,15H2,1-2H3,(H2,29,30)
• InChIKey: AHRLREAPLOEUIE-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.62
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide?

The IUPAC name of N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide (CID 166982869) is N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide.

What is the SMILES notation for N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide?

The canonical SMILES for N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(NS(=O)(=O)CC(F)(F)F)CC2)c1.

What is the InChIKey of N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide?

The InChIKey is AHRLREAPLOEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O3S/c1-16-9-17(11-18(10-16)24(5-6-24)33-39(36,37)15-25(26,27)28)21-13-30-22(29)23(32-21)38-20-12-31-35(14-20)19-3-7-34(2)8-4-19/h9-14,19,33H,3-8,15H2,1-2H3,(H2,29,30).

What are the key properties of N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide?

N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 565.62 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]cyclopropyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 166982869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).