N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one

C113H96Cl4N36O10S — CID 157470755

About N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one

N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one (PubChem CID 157470755) has the molecular formula C113H96Cl4N36O10S and a molecular weight of 2292.13 g/mol. Its IUPAC name is N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one.

Molecular Properties

• Compound Name: N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one
• PubChem CID: 157470755
• Molecular Formula: C113H96Cl4N36O10S
• Molecular Weight: 2292.13 g/mol
• Exact Mass: 2288.66
• IUPAC Name: N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one
• SMILES: Cc1ccc(CC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-n3cc(C)cn3)nc2N)nc1.Cc1ccn(-c2nc(N)c(NC(=O)CN3CCOCC3)nc2-c2cc(Cl)c3oncc3c2)n1.Cc1ccn(-c2nc(N)c(NC(=O)c3ccc(C#N)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cc1cnc(-c2nc(N)c(C(=O)CN3CCN(C)C3)nc2-c2ccc3c(=O)[nH]ccc3c2)s1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncoc3c2)nc1NC(=O)C1CC1
• InChI: InChI=1S/C25H21ClN8O.C23H15ClN8O2.C23H23N7O2S.C21H21ClN8O3.C21H16ClN5O2/c1-14-5-6-18(29-11-14)10-20(35)31-24-23(27)33-25(34-13-15(2)12-30-34)22(32-24)17-8-16-4-3-7-28-21(16)19(26)9-17;1-12-6-7-32(31-12)22-18(15-8-16(24)19-17(9-15)34-11-27-19)28-21(20(26)29-22)30-23(33)14-4-2-13(10-25)3-5-14;1-13-10-26-23(33-13)20-18(15-3-4-16-14(9-15)5-6-25-22(16)32)27-19(21(24)28-20)17(31)11-30-8-7-29(2)12-30;1-12-2-3-30(28-12)21-17(13-8-14-10-24-33-18(14)15(22)9-13)26-20(19(23)27-21)25-16(31)11-29-4-6-32-7-5-29;22-14-8-13(9-15-18(14)24-10-29-15)17-16(11-4-2-1-3-5-11)25-19(23)20(26-17)27-21(28)12-6-7-12/h3-9,11-13H,10H2,1-2H3,(H2,27,33)(H,31,32,35);2-9,11H,1H3,(H2,26,29)(H,28,30,33);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,24,28)(H,25,32);2-3,8-10H,4-7,11H2,1H3,(H2,23,27)(H,25,26,31);1-5,8-10,12H,6-7H2,(H2,23,25)(H,26,27,28)
• InChIKey: BUZUGLYMHIXNIL-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 638.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.13
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one?

The IUPAC name of N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one (CID 157470755) is N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one.

What is the SMILES notation for N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one?

The canonical SMILES for N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one is Cc1ccc(CC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-n3cc(C)cn3)nc2N)nc1.Cc1ccn(-c2nc(N)c(NC(=O)CN3CCOCC3)nc2-c2cc(Cl)c3oncc3c2)n1.Cc1ccn(-c2nc(N)c(NC(=O)c3ccc(C#N)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cc1cnc(-c2nc(N)c(C(=O)CN3CCN(C)C3)nc2-c2ccc3c(=O)[nH]ccc3c2)s1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncoc3c2)nc1NC(=O)C1CC1.

What is the InChIKey of N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one?

The InChIKey is BUZUGLYMHIXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O.C23H15ClN8O2.C23H23N7O2S.C21H21ClN8O3.C21H16ClN5O2/c1-14-5-6-18(29-11-14)10-20(35)31-24-23(27)33-25(34-13-15(2)12-30-34)22(32-24)17-8-16-4-3-7-28-21(16)19(26)9-17;1-12-6-7-32(31-12)22-18(15-8-16(24)19-17(9-15)34-11-27-19)28-21(20(26)29-22)30-23(33)14-4-2-13(10-25)3-5-14;1-13-10-26-23(33-13)20-18(15-3-4-16-14(9-15)5-6-25-22(16)32)27-19(21(24)28-20)17(31)11-30-8-7-29(2)12-30;1-12-2-3-30(28-12)21-17(13-8-14-10-24-33-18(14)15(22)9-13)26-20(19(23)27-21)25-16(31)11-29-4-6-32-7-5-29;22-14-8-13(9-15-18(14)24-10-29-15)17-16(11-4-2-1-3-5-11)25-19(23)20(26-17)27-21(28)12-6-7-12/h3-9,11-13H,10H2,1-2H3,(H2,27,33)(H,31,32,35);2-9,11H,1H3,(H2,26,29)(H,28,30,33);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,24,28)(H,25,32);2-3,8-10H,4-7,11H2,1H3,(H2,23,27)(H,25,26,31);1-5,8-10,12H,6-7H2,(H2,23,25)(H,26,27,28).

What are the key properties of N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one?

N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one has a molecular weight of 2292.13 g/mol, XLogP of 17.65, 23 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-4-cyanobenzamide;N-[3-amino-6-(7-chloro-1,2-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-morpholin-4-ylacetamide;N-[3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-methylpyrazol-1-yl)pyrazin-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;6-[5-amino-6-[2-(3-methylimidazolidin-1-yl)acetyl]-3-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 157470755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).