3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine

C103H93Cl4N31O5 — CID 162143247

About 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine

3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine (PubChem CID 162143247) has the molecular formula C103H93Cl4N31O5 and a molecular weight of 1986.90 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine.

Molecular Properties

• Compound Name: 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine
• PubChem CID: 162143247
• Molecular Formula: C103H93Cl4N31O5
• Molecular Weight: 1986.90 g/mol
• Exact Mass: 1983.67
• IUPAC Name: 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine
• SMILES: Cc1cc(-c2nc(N3CCN(C)C3)c(N)nc2-c2ccccc2)cc2cnoc12.Cc1ccc(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C3COC3)nc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc(N)c(-c3ccccc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(C3CCCCC3)nc2-c2cc(Cl)c3ncoc3c2)n1
• InChI: InChI=1S/C22H22N6O.C21H19ClN6O.C21H21ClN6O.C21H15ClN6O.C18H16ClN7O/c1-14-10-16(11-17-12-24-29-20(14)17)19-18(15-6-4-3-5-7-15)25-21(23)22(26-19)28-9-8-27(2)13-28;1-11-4-5-16(29-11)19-18(27-21(20(24)26-19)28-9-14(23)10-28)13-7-12-3-2-6-25-17(12)15(22)8-13;2*1-28-8-7-15(27-28)20-17(13-9-14(22)19-16(10-13)29-11-24-19)25-18(21(23)26-20)12-5-3-2-4-6-12;1-9-2-3-26(25-9)18-15(23-14(17(20)24-18)11-6-27-7-11)10-4-12(19)16-13(5-10)21-8-22-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,25);2-8,14H,9-10,23H2,1H3,(H2,24,26);7-12H,2-6H2,1H3,(H2,23,26);2-11H,1H3,(H2,23,26);2-5,8,11H,6-7H2,1H3,(H2,20,24)(H,21,22)
• InChIKey: ZKFBICZLENPKIK-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 490.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.90
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine?

The IUPAC name of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine (CID 162143247) is 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine.

What is the SMILES notation for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine?

The canonical SMILES for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine is Cc1cc(-c2nc(N3CCN(C)C3)c(N)nc2-c2ccccc2)cc2cnoc12.Cc1ccc(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C3COC3)nc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cn1ccc(-c2nc(N)c(-c3ccccc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(C3CCCCC3)nc2-c2cc(Cl)c3ncoc3c2)n1.

What is the InChIKey of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine?

The InChIKey is ZKFBICZLENPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O.C21H19ClN6O.C21H21ClN6O.C21H15ClN6O.C18H16ClN7O/c1-14-10-16(11-17-12-24-29-20(14)17)19-18(15-6-4-3-5-7-15)25-21(23)22(26-19)28-9-8-27(2)13-28;1-11-4-5-16(29-11)19-18(27-21(20(24)26-19)28-9-14(23)10-28)13-7-12-3-2-6-25-17(12)15(22)8-13;2*1-28-8-7-15(27-28)20-17(13-9-14(22)19-16(10-13)29-11-24-19)25-18(21(23)26-20)12-5-3-2-4-6-12;1-9-2-3-26(25-9)18-15(23-14(17(20)24-18)11-6-27-7-11)10-4-12(19)16-13(5-10)21-8-22-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,25);2-8,14H,9-10,23H2,1H3,(H2,24,26);7-12H,2-6H2,1H3,(H2,23,26);2-11H,1H3,(H2,23,26);2-5,8,11H,6-7H2,1H3,(H2,20,24)(H,21,22).

What are the key properties of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine?

3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine has a molecular weight of 1986.90 g/mol, XLogP of 19.61, 15 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-cyclohexyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine;5-(7-methyl-1,2-benzoxazol-5-yl)-3-(3-methylimidazolidin-1-yl)-6-phenylpyrazin-2-amine is sourced from PubChem (CID 162143247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).