4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine

C112H105Cl5N34O6 — CID 161228618

About 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine

4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine (PubChem CID 161228618) has the molecular formula C112H105Cl5N34O6 and a molecular weight of 2200.57 g/mol. Its IUPAC name is 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine.

Molecular Properties

• Compound Name: 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine
• PubChem CID: 161228618
• Molecular Formula: C112H105Cl5N34O6
• Molecular Weight: 2200.57 g/mol
• Exact Mass: 2196.74
• IUPAC Name: 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine
• SMILES: CN1CC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.CN1CCC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O.Cn1ccc(-c2nc(N)c(Oc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C23H22ClN7O2.C23H24ClN7O.C23H17ClN6O.C22H22ClN7O.C21H20ClN7O/c1-30-8-5-15(12-18(30)32)33-23-22(25)27-21(17-6-9-31(2)29-17)20(28-23)14-10-13-4-3-7-26-19(13)16(24)11-14;1-30-9-5-16(6-10-30)32-23-22(25)27-21(18-7-11-31(2)29-18)20(28-23)15-12-14-4-3-8-26-19(14)17(24)13-15;1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-28-10-14(11-28)30-21-20(23)25-19(16-5-7-29(2)27-16)18(26-21)13-8-12-4-3-6-24-17(12)15(22)9-13/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,27);3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H2,25,27);2-13H,1H3,(H2,25,27);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,24,26);3-9,14H,10-11H2,1-2H3,(H2,23,25)
• InChIKey: UYLLUJMPZDMXDT-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 488.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.57
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine?

The IUPAC name of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine (CID 161228618) is 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine.

What is the SMILES notation for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine?

The canonical SMILES for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine is CN1CC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.CN1CCC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O.Cn1ccc(-c2nc(N)c(Oc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine?

The InChIKey is UYLLUJMPZDMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2.C23H24ClN7O.C23H17ClN6O.C22H22ClN7O.C21H20ClN7O/c1-30-8-5-15(12-18(30)32)33-23-22(25)27-21(17-6-9-31(2)29-17)20(28-23)14-10-13-4-3-7-26-19(13)16(24)11-14;1-30-9-5-16(6-10-30)32-23-22(25)27-21(18-7-11-31(2)29-18)20(28-23)15-12-14-4-3-8-26-19(14)17(24)13-15;1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-28-10-14(11-28)30-21-20(23)25-19(16-5-7-29(2)27-16)18(26-21)13-8-12-4-3-6-24-17(12)15(22)9-13/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,27);3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H2,25,27);2-13H,1H3,(H2,25,27);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,24,26);3-9,14H,10-11H2,1-2H3,(H2,23,25).

What are the key properties of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine?

4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine has a molecular weight of 2200.57 g/mol, XLogP of 18.68, 20 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxy-1-methylpiperidin-2-one;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenoxypyrazin-2-amine is sourced from PubChem (CID 161228618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).