3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine

C124H106Cl5F3N26S5 — CID 160596056

IUPAC3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
SMILESCN1CCN(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCc1cccnc1
InChIInChI=1S/C26H19ClF3N5S.C25H25ClN6S.C25H18ClN5S.C25H24ClN5S.C23H20ClN5S/c27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;1-31-10-12-32(13-11-31)16-33-25-24(27)29-22(17-6-3-2-4-7-17)23(30-25)19-14-18-8-5-9-28-21(18)20(26)15-19;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)29-24(27)25(30-23)32-14-13-31-11-4-5-12-31;24-18-13-17(12-16-8-4-9-26-19(16)18)21-20(15-6-2-1-3-7-15)27-22(25)23(28-21)30-14-29-10-5-11-29/h1-10,13-15H,11-12H2,(H2,31,33);2-9,14-15H,10-13,16H2,1H3,(H2,27,29);1-14H,15H2,(H2,27,30);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,29);1-4,6-9,12-13H,5,10-11,14H2,(H2,25,27)
InChIKeyRDQLZPRHSZRCBV-UHFFFAOYSA-N
MW2354.99 g/mol
LogP29.51
Rot. Bonds27

About 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine

3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine (PubChem CID 160596056) has the molecular formula C124H106Cl5F3N26S5 and a molecular weight of 2354.99 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
PubChem CID160596056
Molecular FormulaC124H106Cl5F3N26S5
Molecular Weight2354.99 g/mol
Exact Mass2350.61
IUPAC Name3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
SMILESCN1CCN(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCc1cccnc1
InChIInChI=1S/C26H19ClF3N5S.C25H25ClN6S.C25H18ClN5S.C25H24ClN5S.C23H20ClN5S/c27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;1-31-10-12-32(13-11-31)16-33-25-24(27)29-22(17-6-3-2-4-7-17)23(30-25)19-14-18-8-5-9-28-21(18)20(26)15-19;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)29-24(27)25(30-23)32-14-13-31-11-4-5-12-31;24-18-13-17(12-16-8-4-9-26-19(16)18)21-20(15-6-2-1-3-7-15)27-22(25)23(28-21)30-14-29-10-5-11-29/h1-10,13-15H,11-12H2,(H2,31,33);2-9,14-15H,10-13,16H2,1H3,(H2,27,29);1-14H,15H2,(H2,27,30);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,29);1-4,6-9,12-13H,5,10-11,14H2,(H2,25,27)
InChIKeyRDQLZPRHSZRCBV-UHFFFAOYSA-N
XLogP29.51
TPSA354.23 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002354.99
LogP ≤ 529.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine with MolForge

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Related Compounds

5-(8-Chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 137430372
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430380
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 137431273
4-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]sulfanylmethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 159393245
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine
CID 137430379
5-(8-Chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430408
5-(8-Chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine
CID 137430409
5-(8-Chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430412
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine
CID 137430414
5-(8-Chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-phenylpyrazin-2-amine
CID 137431309
5-(8-Chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-phenylpyrazin-2-amine
CID 137431312
5-(8-Chloroquinolin-6-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
CID 137431315

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine (CID 160596056) is 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine is CN1CCN(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCc1cccnc1.
What is the InChIKey of 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine?
The InChIKey is RDQLZPRHSZRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N5S.C25H25ClN6S.C25H18ClN5S.C25H24ClN5S.C23H20ClN5S/c27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;1-31-10-12-32(13-11-31)16-33-25-24(27)29-22(17-6-3-2-4-7-17)23(30-25)19-14-18-8-5-9-28-21(18)20(26)15-19;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)29-24(27)25(30-23)32-14-13-31-11-4-5-12-31;24-18-13-17(12-16-8-4-9-26-19(16)18)21-20(15-6-2-1-3-7-15)27-22(25)23(28-21)30-14-29-10-5-11-29/h1-10,13-15H,11-12H2,(H2,31,33);2-9,14-15H,10-13,16H2,1H3,(H2,27,29);1-14H,15H2,(H2,27,30);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,29);1-4,6-9,12-13H,5,10-11,14H2,(H2,25,27).
What are the key properties of 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine?
3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine has a molecular weight of 2354.99 g/mol, XLogP of 29.51, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 160596056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).