3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C95H68BrCl5N32O3S — CID 158861153

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 158861153) has the molecular formula C95H68BrCl5N32O3S and a molecular weight of 1995.05 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 158861153
• Molecular Formula: C95H68BrCl5N32O3S
• Molecular Weight: 1995.05 g/mol
• Exact Mass: 1990.35
• IUPAC Name: 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncsc3c2)n1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
• InChI: InChI=1S/C22H17ClN6O2.C22H17ClN6OS.C20H12ClN5.C16H11ClN8.C15H11BrClN7/c2*1-29-8-7-16(28-29)20-18(14-9-15(23)19-17(10-14)31-12-25-19)27-22(30)21(26-20)24-11-13-5-3-2-4-6-13;21-15-10-14(9-13-7-4-8-24-17(13)15)19-18(12-5-2-1-3-6-12)26-20(23)16(11-22)25-19;1-25-3-2-11(24-25)15-14(21-12(6-18)16(19)22-15)8-4-9-7-20-23-13(9)10(17)5-8;1-24-3-2-10(23-24)13-12(20-14(16)15(18)21-13)7-4-8-6-19-22-11(8)9(17)5-7/h2*2-10,12H,11H2,1H3,(H,24,26)(H,27,30);1-10H,(H2,23,26);2-5,7H,1H3,(H2,19,22)(H,20,23);2-6H,1H3,(H2,18,21)(H,19,22)
• InChIKey: JARCGIZUQAYCQZ-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 498.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.05
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 158861153) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncsc3c2)n1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.

What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is JARCGIZUQAYCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2.C22H17ClN6OS.C20H12ClN5.C16H11ClN8.C15H11BrClN7/c2*1-29-8-7-16(28-29)20-18(14-9-15(23)19-17(10-14)31-12-25-19)27-22(30)21(26-20)24-11-13-5-3-2-4-6-13;21-15-10-14(9-13-7-4-8-24-17(13)15)19-18(12-5-2-1-3-6-12)26-20(23)16(11-22)25-19;1-25-3-2-11(24-25)15-14(21-12(6-18)16(19)22-15)8-4-9-7-20-23-13(9)10(17)5-8;1-24-3-2-10(23-24)13-12(20-14(16)15(18)21-13)7-4-8-6-19-22-11(8)9(17)5-7/h2*2-10,12H,11H2,1H3,(H,24,26)(H,27,30);1-10H,(H2,23,26);2-5,7H,1H3,(H2,19,22)(H,20,23);2-6H,1H3,(H2,18,21)(H,19,22).

What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 1995.05 g/mol, XLogP of 19.37, 16 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 158861153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).