3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

C87H63Cl5N30OS — CID 158607587

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 158607587) has the molecular formula C87H63Cl5N30OS and a molecular weight of 1754.00 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
• PubChem CID: 158607587
• Molecular Formula: C87H63Cl5N30OS
• Molecular Weight: 1754.00 g/mol
• Exact Mass: 1750.40
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
• SMILES: Cc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)n1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C3CC3)n2)n1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccccc2=O)n1
• InChI: InChI=1S/C19H15ClN6.C18H12ClN7.C18H12ClN5O.C17H13ClN6.C15H11ClN6S/c20-14-9-12(8-11-2-1-6-22-17(11)14)18-19(24-16(21)10-23-18)15-5-7-26(25-15)13-3-4-13;1-26-6-4-13(25-26)17-16(23-14(9-20)18(21)24-17)11-7-10-3-2-5-22-15(10)12(19)8-11;19-13-9-12(8-11-4-3-6-21-16(11)13)17-18(23-14(20)10-22-17)24-7-2-1-5-15(24)25;1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12;1-22-3-2-10(21-22)15-13(18-6-12(17)20-15)8-4-9(16)14-11(5-8)23-7-19-14/h1-2,5-10,13H,3-4H2,(H2,21,24);2-8H,1H3,(H2,21,24);1-10H,(H2,20,23);2-9H,1H3,(H2,19,22);2-7H,1H3,(H2,17,20)
• InChIKey: HWKROJWRQLJNPV-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 440.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1754.00
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (CID 158607587) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.

What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is Cc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)n1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C3CC3)n2)n1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccccc2=O)n1.

What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?

The InChIKey is HWKROJWRQLJNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6.C18H12ClN7.C18H12ClN5O.C17H13ClN6.C15H11ClN6S/c20-14-9-12(8-11-2-1-6-22-17(11)14)18-19(24-16(21)10-23-18)15-5-7-26(25-15)13-3-4-13;1-26-6-4-13(25-26)17-16(23-14(9-20)18(21)24-17)11-7-10-3-2-5-22-15(10)12(19)8-11;19-13-9-12(8-11-4-3-6-21-16(11)13)17-18(23-14(20)10-22-17)24-7-2-1-5-15(24)25;1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12;1-22-3-2-10(21-22)15-13(18-6-12(17)20-15)8-4-9(16)14-11(5-8)23-7-19-14/h1-2,5-10,13H,3-4H2,(H2,21,24);2-8H,1H3,(H2,21,24);1-10H,(H2,20,23);2-9H,1H3,(H2,19,22);2-7H,1H3,(H2,17,20).

What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 1754.00 g/mol, XLogP of 17.21, 11 rotatable bonds, 5 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-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 158607587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).