4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C20H22ClN5O2 — CID 133365129

IUPAC4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cncc(OCc4cccc(Cl)c4)n3)CCO2)cn1
InChIInChI=1S/C20H22ClN5O2/c1-20(16-9-23-25(2)12-16)14-26(6-7-28-20)18-10-22-11-19(24-18)27-13-15-4-3-5-17(21)8-15/h3-5,8-12H,6-7,13-14H2,1-2H3
InChIKeyVKHILKCKPCXISW-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.19
Rot. Bonds5

About 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133365129) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133365129
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cncc(OCc4cccc(Cl)c4)n3)CCO2)cn1
InChIInChI=1S/C20H22ClN5O2/c1-20(16-9-23-25(2)12-16)14-26(6-7-28-20)18-10-22-11-19(24-18)27-13-15-4-3-5-17(21)8-15/h3-5,8-12H,6-7,13-14H2,1-2H3
InChIKeyVKHILKCKPCXISW-UHFFFAOYSA-N
XLogP3.19
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 133365129) is 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3cncc(OCc4cccc(Cl)c4)n3)CCO2)cn1.
What is the InChIKey of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is VKHILKCKPCXISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-20(16-9-23-25(2)12-16)14-26(6-7-28-20)18-10-22-11-19(24-18)27-13-15-4-3-5-17(21)8-15/h3-5,8-12H,6-7,13-14H2,1-2H3.
What are the key properties of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 399.88 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133365129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).