5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine

C111H99Cl5N34S5 — CID 158803881

IUPAC5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine
SMILESCN1CC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(Sc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Sc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H24ClN7S.C23H17ClN6S.C22H22ClN7S.C22H16ClN7S.C21H20ClN7S/c1-30-9-5-16(6-10-30)32-23-22(25)27-21(18-7-11-31(2)29-18)20(28-23)15-12-14-4-3-8-26-19(14)17(24)13-15;1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-30-9-6-17(29-30)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)28-22(21(24)27-20)31-15-5-3-7-25-12-15;1-28-10-14(11-28)30-21-20(23)25-19(16-5-7-29(2)27-16)18(26-21)13-8-12-4-3-6-24-17(12)15(22)9-13/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H2,25,27);2-13H,1H3,(H2,25,27);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,24,26);2-12H,1H3,(H2,24,27);3-9,14H,10-11H2,1-2H3,(H2,23,25)
InChIKeyITVFEWDRNOMLBJ-UHFFFAOYSA-N
MW2246.85 g/mol
LogP22.73
Rot. Bonds20

About 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine (PubChem CID 158803881) has the molecular formula C111H99Cl5N34S5 and a molecular weight of 2246.85 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine
PubChem CID158803881
Molecular FormulaC111H99Cl5N34S5
Molecular Weight2246.85 g/mol
Exact Mass2242.58
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine
SMILESCN1CC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(Sc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Sc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H24ClN7S.C23H17ClN6S.C22H22ClN7S.C22H16ClN7S.C21H20ClN7S/c1-30-9-5-16(6-10-30)32-23-22(25)27-21(18-7-11-31(2)29-18)20(28-23)15-12-14-4-3-8-26-19(14)17(24)13-15;1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-30-9-6-17(29-30)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)28-22(21(24)27-20)31-15-5-3-7-25-12-15;1-28-10-14(11-28)30-21-20(23)25-19(16-5-7-29(2)27-16)18(26-21)13-8-12-4-3-6-24-17(12)15(22)9-13/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H2,25,27);2-13H,1H3,(H2,25,27);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,24,26);2-12H,1H3,(H2,24,27);3-9,14H,10-11H2,1-2H3,(H2,23,25)
InChIKeyITVFEWDRNOMLBJ-UHFFFAOYSA-N
XLogP22.73
TPSA435.16 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds20
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.85
LogP ≤ 522.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine (CID 158803881) is 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine is CN1CC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(Sc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Sc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine?
The InChIKey is ITVFEWDRNOMLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7S.C23H17ClN6S.C22H22ClN7S.C22H16ClN7S.C21H20ClN7S/c1-30-9-5-16(6-10-30)32-23-22(25)27-21(18-7-11-31(2)29-18)20(28-23)15-12-14-4-3-8-26-19(14)17(24)13-15;1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-30-9-6-17(29-30)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)28-22(21(24)27-20)31-15-5-3-7-25-12-15;1-28-10-14(11-28)30-21-20(23)25-19(16-5-7-29(2)27-16)18(26-21)13-8-12-4-3-6-24-17(12)15(22)9-13/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H2,25,27);2-13H,1H3,(H2,25,27);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,24,26);2-12H,1H3,(H2,24,27);3-9,14H,10-11H2,1-2H3,(H2,23,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine has a molecular weight of 2246.85 g/mol, XLogP of 22.73, 20 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine is sourced from PubChem (CID 158803881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).