3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C125H163ClF6N18O14S2 — CID 159484496

IUPAC3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1cnc(CN2CCC(OCc3ccccc3F)CC2)c(Cl)n1.CC(C)(C)Oc1nccnc1CN1CCC(CS(=O)(=O)c2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CS(=O)c2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCOC(/C=C/c2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCOC(CCc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCOC(COc2ccccc2F)C1
InChIInChI=1S/C21H27ClFN3O2.C21H28FN3O3S.C21H28FN3O2S.C21H28FN3O2.C21H26FN3O2.C20H26FN3O3/c1-21(2,3)28-19-12-24-18(20(22)25-19)13-26-10-8-16(9-11-26)27-14-15-6-4-5-7-17(15)23;1-21(2,3)28-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-29(26,27)19-7-5-4-6-17(19)22;1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-28(26)19-7-5-4-6-17(19)22;2*1-21(2,3)27-20-19(23-10-11-24-20)15-25-12-13-26-17(14-25)9-8-16-6-4-5-7-18(16)22;1-20(2,3)27-19-17(22-8-9-23-19)13-24-10-11-25-15(12-24)14-26-18-7-5-4-6-16(18)21/h4-7,12,16H,8-11,13-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;4-11,17H,12-15H2,1-3H3;4-9,15H,10-14H2,1-3H3/b;;;;9-8+;
InChIKeyLXKKQOXHJDVNFD-CKYZHTFVSA-N
MW2355.37 g/mol
LogP22.33
Rot. Bonds35

About 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 159484496) has the molecular formula C125H163ClF6N18O14S2 and a molecular weight of 2355.37 g/mol. Its IUPAC name is 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID159484496
Molecular FormulaC125H163ClF6N18O14S2
Molecular Weight2355.37 g/mol
Exact Mass2353.16
IUPAC Name3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1cnc(CN2CCC(OCc3ccccc3F)CC2)c(Cl)n1.CC(C)(C)Oc1nccnc1CN1CCC(CS(=O)(=O)c2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CS(=O)c2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCOC(/C=C/c2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCOC(CCc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCOC(COc2ccccc2F)C1
InChIInChI=1S/C21H27ClFN3O2.C21H28FN3O3S.C21H28FN3O2S.C21H28FN3O2.C21H26FN3O2.C20H26FN3O3/c1-21(2,3)28-19-12-24-18(20(22)25-19)13-26-10-8-16(9-11-26)27-14-15-6-4-5-7-17(15)23;1-21(2,3)28-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-29(26,27)19-7-5-4-6-17(19)22;1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-28(26)19-7-5-4-6-17(19)22;2*1-21(2,3)27-20-19(23-10-11-24-20)15-25-12-13-26-17(14-25)9-8-16-6-4-5-7-18(16)22;1-20(2,3)27-19-17(22-8-9-23-19)13-24-10-11-25-15(12-24)14-26-18-7-5-4-6-16(18)21/h4-7,12,16H,8-11,13-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;4-11,17H,12-15H2,1-3H3;4-9,15H,10-14H2,1-3H3/b;;;;9-8+;
InChIKeyLXKKQOXHJDVNFD-CKYZHTFVSA-N
XLogP22.33
TPSA326.86 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.37
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 159484496) is 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is CC(C)(C)Oc1cnc(CN2CCC(OCc3ccccc3F)CC2)c(Cl)n1.CC(C)(C)Oc1nccnc1CN1CCC(CS(=O)(=O)c2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CS(=O)c2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCOC(/C=C/c2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCOC(CCc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCOC(COc2ccccc2F)C1.
What is the InChIKey of 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is LXKKQOXHJDVNFD-CKYZHTFVSA-N. The full InChI is InChI=1S/C21H27ClFN3O2.C21H28FN3O3S.C21H28FN3O2S.C21H28FN3O2.C21H26FN3O2.C20H26FN3O3/c1-21(2,3)28-19-12-24-18(20(22)25-19)13-26-10-8-16(9-11-26)27-14-15-6-4-5-7-17(15)23;1-21(2,3)28-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-29(26,27)19-7-5-4-6-17(19)22;1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-28(26)19-7-5-4-6-17(19)22;2*1-21(2,3)27-20-19(23-10-11-24-20)15-25-12-13-26-17(14-25)9-8-16-6-4-5-7-18(16)22;1-20(2,3)27-19-17(22-8-9-23-19)13-24-10-11-25-15(12-24)14-26-18-7-5-4-6-16(18)21/h4-7,12,16H,8-11,13-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;4-11,17H,12-15H2,1-3H3;4-9,15H,10-14H2,1-3H3/b;;;;9-8+;.
What are the key properties of 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 2355.37 g/mol, XLogP of 22.33, 35 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 159484496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).