3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine

C116H120Cl5N33O5 — CID 161404092

About 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine

3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine (PubChem CID 161404092) has the molecular formula C116H120Cl5N33O5 and a molecular weight of 2233.73 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine
• PubChem CID: 161404092
• Molecular Formula: C116H120Cl5N33O5
• Molecular Weight: 2233.73 g/mol
• Exact Mass: 2229.86
• IUPAC Name: 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine
• SMILES: CN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.Cn1ccc(-c2nc(N)c(OCC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCCN3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCCN3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/2C24H25ClN6O.2C23H24ClN7O.C22H22ClN7O/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15;1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-27-20(16)18(25)13-17)29-24(23(26)28-22)32-14-15-6-3-2-4-7-15;1-30-8-5-14(12-30)13-32-23-22(25)27-21(18-6-9-31(2)29-18)20(28-23)16-10-15-4-3-7-26-19(15)17(24)11-16;1-30-10-6-18(29-30)21-20(16-13-15-5-4-7-26-19(15)17(24)14-16)28-23(22(25)27-21)32-12-11-31-8-2-3-9-31;1-29-9-5-17(28-29)20-19(15-12-14-4-2-6-25-18(14)16(23)13-15)27-22(21(24)26-20)31-11-10-30-7-3-8-30/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28);5,8-13,15H,2-4,6-7,14H2,1H3,(H2,26,28);3-4,6-7,9-11,14H,5,8,12-13H2,1-2H3,(H2,25,27);4-7,10,13-14H,2-3,8-9,11-12H2,1H3,(H2,25,27);2,4-6,9,12-13H,3,7-8,10-11H2,1H3,(H2,24,26)
• InChIKey: VUPNCICHRZAZTC-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 468.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2233.73
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?

The IUPAC name of 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine (CID 161404092) is 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine.

What is the SMILES notation for 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?

The canonical SMILES for 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine is CN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.Cn1ccc(-c2nc(N)c(OCC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCCN3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCCN3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?

The InChIKey is VUPNCICHRZAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25ClN6O.2C23H24ClN7O.C22H22ClN7O/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15;1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-27-20(16)18(25)13-17)29-24(23(26)28-22)32-14-15-6-3-2-4-7-15;1-30-8-5-14(12-30)13-32-23-22(25)27-21(18-6-9-31(2)29-18)20(28-23)16-10-15-4-3-7-26-19(15)17(24)11-16;1-30-10-6-18(29-30)21-20(16-13-15-5-4-7-26-19(15)17(24)14-16)28-23(22(25)27-21)32-12-11-31-8-2-3-9-31;1-29-9-5-17(28-29)20-19(15-12-14-4-2-6-25-18(14)16(23)13-15)27-22(21(24)26-20)31-11-10-30-7-3-8-30/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28);5,8-13,15H,2-4,6-7,14H2,1H3,(H2,26,28);3-4,6-7,9-11,14H,5,8,12-13H2,1-2H3,(H2,25,27);4-7,10,13-14H,2-3,8-9,11-12H2,1H3,(H2,25,27);2,4-6,9,12-13H,3,7-8,10-11H2,1H3,(H2,24,26).

What are the key properties of 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?

3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine has a molecular weight of 2233.73 g/mol, XLogP of 21.45, 28 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine is sourced from PubChem (CID 161404092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).