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

C22H28N6O2 — CID 166982975

IUPAC1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(C)O)c1
InChIInChI=1S/C22H28N6O2/c1-14-8-16(15(2)29)10-17(9-14)20-12-24-21(23)22(26-20)30-19-11-25-28(13-19)18-4-6-27(3)7-5-18/h8-13,15,18,29H,4-7H2,1-3H3,(H2,23,24)
InChIKeyVCORMAGWOIXQQC-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.34
Rot. Bonds5

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

1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol (PubChem CID 166982975) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol
PubChem CID166982975
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(C)O)c1
InChIInChI=1S/C22H28N6O2/c1-14-8-16(15(2)29)10-17(9-14)20-12-24-21(23)22(26-20)30-19-11-25-28(13-19)18-4-6-27(3)7-5-18/h8-13,15,18,29H,4-7H2,1-3H3,(H2,23,24)
InChIKeyVCORMAGWOIXQQC-UHFFFAOYSA-N
XLogP3.34
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol?
The IUPAC name of 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol (CID 166982975) is 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol?
The canonical SMILES for 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(C)O)c1.
What is the InChIKey of 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol?
The InChIKey is VCORMAGWOIXQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14-8-16(15(2)29)10-17(9-14)20-12-24-21(23)22(26-20)30-19-11-25-28(13-19)18-4-6-27(3)7-5-18/h8-13,15,18,29H,4-7H2,1-3H3,(H2,23,24).
What are the key properties of 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol?
1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol has a molecular weight of 408.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol is sourced from PubChem (CID 166982975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).