3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

C83H66Cl4N26O9 — CID 158560455

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (PubChem CID 158560455) has the molecular formula C83H66Cl4N26O9 and a molecular weight of 1713.43 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
• PubChem CID: 158560455
• Molecular Formula: C83H66Cl4N26O9
• Molecular Weight: 1713.43 g/mol
• Exact Mass: 1710.43
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1.COC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C26H21ClN8O3.C20H17ClN6O2.C19H15ClN6O2.C18H13ClN6O2/c1-35-9-7-19(34-35)22-21(16-10-14-4-3-8-29-20(14)18(27)11-16)32-23(24(28)33-22)25(36)31-13-17-6-5-15(12-30-17)26(37)38-2;1-3-29-20(28)18-19(22)25-17(14-6-8-27(2)26-14)16(24-18)12-9-11-5-4-7-23-15(11)13(21)10-12;1-26-7-5-13(25-26)16-15(23-17(18(21)24-16)19(27)28-2)11-8-10-4-3-6-22-14(10)12(20)9-11;1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h3-12H,13H2,1-2H3,(H2,28,33)(H,31,36);4-10H,3H2,1-2H3,(H2,22,25);3-9H,1-2H3,(H2,21,24);2-8H,1H3,(H2,20,23)(H,26,27)
• InChIKey: HQUWXCAPKILRAI-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 488.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.43
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (CID 158560455) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.

What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is CCOC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1.COC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

The InChIKey is HQUWXCAPKILRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN8O3.C20H17ClN6O2.C19H15ClN6O2.C18H13ClN6O2/c1-35-9-7-19(34-35)22-21(16-10-14-4-3-8-29-20(14)18(27)11-16)32-23(24(28)33-22)25(36)31-13-17-6-5-15(12-30-17)26(37)38-2;1-3-29-20(28)18-19(22)25-17(14-6-8-27(2)26-14)16(24-18)12-9-11-5-4-7-23-15(11)13(21)10-12;1-26-7-5-13(25-26)16-15(23-17(18(21)24-16)19(27)28-2)11-8-10-4-3-6-22-14(10)12(20)9-11;1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h3-12H,13H2,1-2H3,(H2,28,33)(H,31,36);4-10H,3H2,1-2H3,(H2,22,25);3-9H,1-2H3,(H2,21,24);2-8H,1H3,(H2,20,23)(H,26,27).

What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate has a molecular weight of 1713.43 g/mol, XLogP of 13.08, 16 rotatable bonds, 6 hydrogen bond donors, and 33 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-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 158560455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).