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

C25H32N6O3 — CID 166983071

IUPAC3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(O)CCCOC2)c1
InChIInChI=1S/C25H32N6O3/c1-17-10-18(12-19(11-17)25(32)6-3-9-33-16-25)22-14-27-23(26)24(29-22)34-21-13-28-31(15-21)20-4-7-30(2)8-5-20/h10-15,20,32H,3-9,16H2,1-2H3,(H2,26,27)
InChIKeyMWHQOPMCFRSDDU-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.29
Rot. Bonds5

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

3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol (PubChem CID 166983071) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol.

Molecular Properties

Compound Name3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol
PubChem CID166983071
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(O)CCCOC2)c1
InChIInChI=1S/C25H32N6O3/c1-17-10-18(12-19(11-17)25(32)6-3-9-33-16-25)22-14-27-23(26)24(29-22)34-21-13-28-31(15-21)20-4-7-30(2)8-5-20/h10-15,20,32H,3-9,16H2,1-2H3,(H2,26,27)
InChIKeyMWHQOPMCFRSDDU-UHFFFAOYSA-N
XLogP3.29
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.29
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-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol?
The IUPAC name of 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol (CID 166983071) is 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol.
What is the SMILES notation for 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol?
The canonical SMILES for 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(O)CCCOC2)c1.
What is the InChIKey of 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol?
The InChIKey is MWHQOPMCFRSDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-10-18(12-19(11-17)25(32)6-3-9-33-16-25)22-14-27-23(26)24(29-22)34-21-13-28-31(15-21)20-4-7-30(2)8-5-20/h10-15,20,32H,3-9,16H2,1-2H3,(H2,26,27).
What are the key properties of 3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol?
3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol has a molecular weight of 464.57 g/mol, XLogP of 3.29, 5 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-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol is sourced from PubChem (CID 166983071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).