2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile

C139H143F2N31O — CID 158706826

About 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile

2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile (PubChem CID 158706826) has the molecular formula C139H143F2N31O and a molecular weight of 2301.88 g/mol. Its IUPAC name is 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
• PubChem CID: 158706826
• Molecular Formula: C139H143F2N31O
• Molecular Weight: 2301.88 g/mol
• Exact Mass: 2300.21
• IUPAC Name: 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
• SMILES: CC1CN(c2cccnc2-c2ccc3ccn(C)c3c2)CCN1c1ccncc1.CCCCn1c(-c2ncccc2N2CCN(c3ccncc3)CC2)cc2ccccc21.Cn1ccc2cc(C(C)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.N#CCCn1ccc2cc(-c3ncccc3N3CCN(c4ccncc4)CC3)ccc21.c1ccc(Cc2nccnc2N2CCN(c3ccncc3)CC2)cc1.c1ccc(Oc2nccnc2N2CCN(c3ccncc3)CC2)cc1
• InChI: InChI=1S/C26H29N5.C25H25F2N5.C25H24N6.C24H25N5.C20H21N5.C19H19N5O/c1-2-3-15-31-23-8-5-4-7-21(23)20-25(31)26-24(9-6-12-28-26)30-18-16-29(17-19-30)22-10-13-27-14-11-22;1-25(26,27)21-16-18-7-11-30(2)23(18)17-20(21)24-22(4-3-8-29-24)32-14-12-31(13-15-32)19-5-9-28-10-6-19;26-9-2-13-30-14-8-20-19-21(4-5-23(20)30)25-24(3-1-10-28-25)31-17-15-29(16-18-31)22-6-11-27-12-7-22;1-18-17-28(14-15-29(18)21-7-11-25-12-8-21)22-4-3-10-26-24(22)20-6-5-19-9-13-27(2)23(19)16-20;1-2-4-17(5-3-1)16-19-20(23-11-10-22-19)25-14-12-24(13-15-25)18-6-8-21-9-7-18;1-2-4-17(5-3-1)25-19-18(21-10-11-22-19)24-14-12-23(13-15-24)16-6-8-20-9-7-16/h4-14,20H,2-3,15-19H2,1H3;3-11,16-17H,12-15H2,1-2H3;1,3-8,10-12,14,19H,2,13,15-18H2;3-13,16,18H,14-15,17H2,1-2H3;1-11H,12-16H2;1-11H,12-15H2
• InChIKey: IIFGRJXVXUYGCD-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 272.08 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.88
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?

The IUPAC name of 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile (CID 158706826) is 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile.

What is the SMILES notation for 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?

The canonical SMILES for 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile is CC1CN(c2cccnc2-c2ccc3ccn(C)c3c2)CCN1c1ccncc1.CCCCn1c(-c2ncccc2N2CCN(c3ccncc3)CC2)cc2ccccc21.Cn1ccc2cc(C(C)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.N#CCCn1ccc2cc(-c3ncccc3N3CCN(c4ccncc4)CC3)ccc21.c1ccc(Cc2nccnc2N2CCN(c3ccncc3)CC2)cc1.c1ccc(Oc2nccnc2N2CCN(c3ccncc3)CC2)cc1.

What is the InChIKey of 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?

The InChIKey is IIFGRJXVXUYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5.C25H25F2N5.C25H24N6.C24H25N5.C20H21N5.C19H19N5O/c1-2-3-15-31-23-8-5-4-7-21(23)20-25(31)26-24(9-6-12-28-26)30-18-16-29(17-19-30)22-10-13-27-14-11-22;1-25(26,27)21-16-18-7-11-30(2)23(18)17-20(21)24-22(4-3-8-29-24)32-14-12-31(13-15-32)19-5-9-28-10-6-19;26-9-2-13-30-14-8-20-19-21(4-5-23(20)30)25-24(3-1-10-28-25)31-17-15-29(16-18-31)22-6-11-27-12-7-22;1-18-17-28(14-15-29(18)21-7-11-25-12-8-21)22-4-3-10-26-24(22)20-6-5-19-9-13-27(2)23(19)16-20;1-2-4-17(5-3-1)16-19-20(23-11-10-22-19)25-14-12-24(13-15-25)18-6-8-21-9-7-18;1-2-4-17(5-3-1)25-19-18(21-10-11-22-19)24-14-12-23(13-15-24)16-6-8-20-9-7-16/h4-14,20H,2-3,15-19H2,1H3;3-11,16-17H,12-15H2,1-2H3;1,3-8,10-12,14,19H,2,13,15-18H2;3-13,16,18H,14-15,17H2,1-2H3;1-11H,12-16H2;1-11H,12-15H2.

What are the key properties of 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?

2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile has a molecular weight of 2301.88 g/mol, XLogP of 24.77, 26 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 158706826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).