1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine

C68H78Cl6F3N19O5 — CID 159273288

About 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine

1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine (PubChem CID 159273288) has the molecular formula C68H78Cl6F3N19O5 and a molecular weight of 1511.21 g/mol. Its IUPAC name is 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
• PubChem CID: 159273288
• Molecular Formula: C68H78Cl6F3N19O5
• Molecular Weight: 1511.21 g/mol
• Exact Mass: 1507.45
• IUPAC Name: 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
• SMILES: CC(Oc1nc(-c2cnn(C3CCN(C(=O)CN(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCN(C(C)CO)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C24H28Cl2FN7O2.C23H27Cl2FN6O2.C21H23Cl2FN6O/c1-14(21-17(25)4-5-18(27)22(21)26)36-24-23(28)29-11-19(31-24)15-10-30-34(12-15)16-6-8-33(9-7-16)20(35)13-32(2)3;1-13(12-33)31-7-5-16(6-8-31)32-11-15(9-29-32)19-10-28-22(27)23(30-19)34-14(2)20-17(24)3-4-18(26)21(20)25;1-12(18-15(22)3-4-16(24)19(18)23)31-21-20(25)26-10-17(28-21)13-9-27-30(11-13)14-5-7-29(2)8-6-14/h4-5,10-12,14,16H,6-9,13H2,1-3H3,(H2,28,29);3-4,9-11,13-14,16,33H,5-8,12H2,1-2H3,(H2,27,28);3-4,9-12,14H,5-8H2,1-2H3,(H2,25,26)
• InChIKey: KXZDZVUASRSABD-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 286.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.21
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?

The IUPAC name of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine (CID 159273288) is 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine.

What is the SMILES notation for 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?

The canonical SMILES for 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine is CC(Oc1nc(-c2cnn(C3CCN(C(=O)CN(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCN(C(C)CO)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?

The InChIKey is KXZDZVUASRSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2FN7O2.C23H27Cl2FN6O2.C21H23Cl2FN6O/c1-14(21-17(25)4-5-18(27)22(21)26)36-24-23(28)29-11-19(31-24)15-10-30-34(12-15)16-6-8-33(9-7-16)20(35)13-32(2)3;1-13(12-33)31-7-5-16(6-8-31)32-11-15(9-29-32)19-10-28-22(27)23(30-19)34-14(2)20-17(24)3-4-18(26)21(20)25;1-12(18-15(22)3-4-16(24)19(18)23)31-21-20(25)26-10-17(28-21)13-9-27-30(11-13)14-5-7-29(2)8-6-14/h4-5,10-12,14,16H,6-9,13H2,1-3H3,(H2,28,29);3-4,9-11,13-14,16,33H,5-8,12H2,1-2H3,(H2,27,28);3-4,9-12,14H,5-8H2,1-2H3,(H2,25,26).

What are the key properties of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?

1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine has a molecular weight of 1511.21 g/mol, XLogP of 13.53, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]propan-1-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 159273288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).