3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine

C90H69Cl5F6N30O4 — CID 159161212

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
SMILESCCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C19H17ClN6O.C18H12ClF3N6O.C18H12ClF3N6.C18H15ClN6O.C17H13ClN6O/c1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-28-6-4-12(27-28)15-14(25-16(17(23)26-15)18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11;1-24-6-4-12(23-24)15-14(22-17(25)16(19)21-15)10-7-9-3-2-5-20-13(9)11(18)8-10/h4-10H,3H2,1-2H3,(H2,21,23);2-8H,1H3,(H2,23,25);2-8H,1H3,(H2,23,26);3-9H,1-2H3,(H2,20,22);2-8H,1H3,(H2,19,21)(H,22,25)
InChIKeyKKMTUGZILNMWDQ-UHFFFAOYSA-N
MW1926.00 g/mol
LogP18.26
Rot. Bonds14

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 159161212) has the molecular formula C90H69Cl5F6N30O4 and a molecular weight of 1926.00 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
PubChem CID159161212
Molecular FormulaC90H69Cl5F6N30O4
Molecular Weight1926.00 g/mol
Exact Mass1922.45
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
SMILESCCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C19H17ClN6O.C18H12ClF3N6O.C18H12ClF3N6.C18H15ClN6O.C17H13ClN6O/c1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-28-6-4-12(27-28)15-14(25-16(17(23)26-15)18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11;1-24-6-4-12(23-24)15-14(22-17(25)16(19)21-15)10-7-9-3-2-5-20-13(9)11(18)8-10/h4-10H,3H2,1-2H3,(H2,21,23);2-8H,1H3,(H2,23,25);2-8H,1H3,(H2,23,26);3-9H,1-2H3,(H2,20,22);2-8H,1H3,(H2,19,21)(H,22,25)
InChIKeyKKMTUGZILNMWDQ-UHFFFAOYSA-N
XLogP18.26
TPSA460.21 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds14
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001926.00
LogP ≤ 518.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine (CID 159161212) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine is CCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is KKMTUGZILNMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O.C18H12ClF3N6O.C18H12ClF3N6.C18H15ClN6O.C17H13ClN6O/c1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-28-6-4-12(27-28)15-14(25-16(17(23)26-15)18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11;1-24-6-4-12(23-24)15-14(22-17(25)16(19)21-15)10-7-9-3-2-5-20-13(9)11(18)8-10/h4-10H,3H2,1-2H3,(H2,21,23);2-8H,1H3,(H2,23,25);2-8H,1H3,(H2,23,26);3-9H,1-2H3,(H2,20,22);2-8H,1H3,(H2,19,21)(H,22,25).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 1926.00 g/mol, XLogP of 18.26, 14 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)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 159161212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).