3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine

C88H76Cl2N32O3 — CID 159099054

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine

3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine (PubChem CID 159099054) has the molecular formula C88H76Cl2N32O3 and a molecular weight of 1700.70 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
• PubChem CID: 159099054
• Molecular Formula: C88H76Cl2N32O3
• Molecular Weight: 1700.70 g/mol
• Exact Mass: 1698.62
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
• SMILES: CC1CN(c2ncc(N)nc2-c2ccn(C)n2)Cc2cccnc21.Cc1ccn(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)c1.Cc1ccn(-c2nc(N)c(N)nc2-c2ccc3ncccc3c2)n1.Cc1ccnc2ccc(-c3[nH]c(=O)c(N)nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc(N)c(=O)[nH]c2-c2cc(Cl)c3c(=O)[nH]ccc3c2)n1
• InChI: InChI=1S/C19H13ClN6.C18H16N6O.C17H13ClN6O2.C17H19N7.C17H15N7/c1-11-4-6-26(10-11)19-17(24-15(9-21)18(22)25-19)13-7-12-3-2-5-23-16(12)14(20)8-13;1-10-5-7-20-13-4-3-11(9-12(10)13)15-16(14-6-8-24(2)23-14)21-17(19)18(25)22-15;1-24-5-3-11(23-24)14-13(22-17(26)15(19)21-14)9-6-8-2-4-20-16(25)12(8)10(18)7-9;1-11-9-24(10-12-4-3-6-19-15(11)12)17-16(21-14(18)8-20-17)13-5-7-23(2)22-13;1-10-6-8-24(23-10)17-14(21-15(18)16(19)22-17)12-4-5-13-11(9-12)3-2-7-20-13/h2-8,10H,1H3,(H2,22,25);3-9H,1-2H3,(H2,19,21)(H,22,25);2-7H,1H3,(H2,19,21)(H,20,25)(H,22,26);3-8,11H,9-10H2,1-2H3,(H2,18,21);2-9H,1H3,(H2,18,21)(H2,19,22)
• InChIKey: KDASMWLAYLRAPV-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 512.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.70
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine (CID 159099054) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine.

What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine is CC1CN(c2ncc(N)nc2-c2ccn(C)n2)Cc2cccnc21.Cc1ccn(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)c1.Cc1ccn(-c2nc(N)c(N)nc2-c2ccc3ncccc3c2)n1.Cc1ccnc2ccc(-c3[nH]c(=O)c(N)nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc(N)c(=O)[nH]c2-c2cc(Cl)c3c(=O)[nH]ccc3c2)n1.

What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?

The InChIKey is KDASMWLAYLRAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6.C18H16N6O.C17H13ClN6O2.C17H19N7.C17H15N7/c1-11-4-6-26(10-11)19-17(24-15(9-21)18(22)25-19)13-7-12-3-2-5-23-16(12)14(20)8-13;1-10-5-7-20-13-4-3-11(9-12(10)13)15-16(14-6-8-24(2)23-14)21-17(19)18(25)22-15;1-24-5-3-11(23-24)14-13(22-17(26)15(19)21-14)9-6-8-2-4-20-16(25)12(8)10(18)7-9;1-11-9-24(10-12-4-3-6-19-15(11)12)17-16(21-14(18)8-20-17)13-5-7-23(2)22-13;1-10-6-8-24(23-10)17-14(21-15(18)16(19)22-17)12-4-5-13-11(9-12)3-2-7-20-13/h2-8,10H,1H3,(H2,22,25);3-9H,1-2H3,(H2,19,21)(H,22,25);2-7H,1H3,(H2,19,21)(H,20,25)(H,22,26);3-8,11H,9-10H2,1-2H3,(H2,18,21);2-9H,1H3,(H2,18,21)(H2,19,22).

What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?

3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine has a molecular weight of 1700.70 g/mol, XLogP of 12.42, 10 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrrol-1-yl)pyrazine-2-carbonitrile;3-amino-5-(1-methylpyrazol-3-yl)-6-(4-methylquinolin-6-yl)-1H-pyrazin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2,3-diamine is sourced from PubChem (CID 159099054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).