2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C23H24F6N6O2 — CID 166982970

IUPAC2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C23H24F6N6O2/c1-13-7-14(9-15(8-13)21(36,22(24,25)26)23(27,28)29)18-11-31-19(30)20(33-18)37-17-10-32-35(12-17)16-3-5-34(2)6-4-16/h7-12,16,36H,3-6H2,1-2H3,(H2,30,31)
InChIKeyGOQBMAMZAYLNAH-UHFFFAOYSA-N
MW530.47 g/mol
LogP4.60
Rot. Bonds5

About 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 166982970) has the molecular formula C23H24F6N6O2 and a molecular weight of 530.47 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID166982970
Molecular FormulaC23H24F6N6O2
Molecular Weight530.47 g/mol
Exact Mass530.19
IUPAC Name2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C23H24F6N6O2/c1-13-7-14(9-15(8-13)21(36,22(24,25)26)23(27,28)29)18-11-31-19(30)20(33-18)37-17-10-32-35(12-17)16-3-5-34(2)6-4-16/h7-12,16,36H,3-6H2,1-2H3,(H2,30,31)
InChIKeyGOQBMAMZAYLNAH-UHFFFAOYSA-N
XLogP4.60
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 166982970) is 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GOQBMAMZAYLNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N6O2/c1-13-7-14(9-15(8-13)21(36,22(24,25)26)23(27,28)29)18-11-31-19(30)20(33-18)37-17-10-32-35(12-17)16-3-5-34(2)6-4-16/h7-12,16,36H,3-6H2,1-2H3,(H2,30,31).
What are the key properties of 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 530.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 166982970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).