3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol

C24H30N6O3 — CID 166983032

IUPAC3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol
SMILESCCN1CCC(n2cc(Oc3nc(-c4cc(C)cc(C5(O)COC5)c4)cnc3N)cn2)CC1
InChIInChI=1S/C24H30N6O3/c1-3-29-6-4-19(5-7-29)30-13-20(11-27-30)33-23-22(25)26-12-21(28-23)17-8-16(2)9-18(10-17)24(31)14-32-15-24/h8-13,19,31H,3-7,14-15H2,1-2H3,(H2,25,26)
InChIKeyGIFKYZRUEFLDCW-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.90
Rot. Bonds6

About 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol

3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol (PubChem CID 166983032) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol
PubChem CID166983032
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol
SMILESCCN1CCC(n2cc(Oc3nc(-c4cc(C)cc(C5(O)COC5)c4)cnc3N)cn2)CC1
InChIInChI=1S/C24H30N6O3/c1-3-29-6-4-19(5-7-29)30-13-20(11-27-30)33-23-22(25)26-12-21(28-23)17-8-16(2)9-18(10-17)24(31)14-32-15-24/h8-13,19,31H,3-7,14-15H2,1-2H3,(H2,25,26)
InChIKeyGIFKYZRUEFLDCW-UHFFFAOYSA-N
XLogP2.90
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol?
The IUPAC name of 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol (CID 166983032) is 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol.
What is the SMILES notation for 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol?
The canonical SMILES for 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol is CCN1CCC(n2cc(Oc3nc(-c4cc(C)cc(C5(O)COC5)c4)cnc3N)cn2)CC1.
What is the InChIKey of 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol?
The InChIKey is GIFKYZRUEFLDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-3-29-6-4-19(5-7-29)30-13-20(11-27-30)33-23-22(25)26-12-21(28-23)17-8-16(2)9-18(10-17)24(31)14-32-15-24/h8-13,19,31H,3-7,14-15H2,1-2H3,(H2,25,26).
What are the key properties of 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol?
3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol has a molecular weight of 450.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-amino-6-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxetan-3-ol is sourced from PubChem (CID 166983032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).