3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C101H70BrCl4F3N28 — CID 159201679

IUPAC3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCc1ccnc2c(C)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(Br)c(N)nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc12.N#Cc1nc(-c2cc(Cl)c3nccc(C(F)(F)F)c3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C22H17N5.C21H11ClF3N5.C21H14ClN5.C19H14ClN7.C18H14BrClN6/c1-13-8-9-25-19-14(2)10-16(11-17(13)19)21-20(15-6-4-3-5-7-15)27-22(24)18(12-23)26-21;22-15-9-12(8-13-14(21(23,24)25)6-7-28-19(13)15)18-17(11-4-2-1-3-5-11)30-20(27)16(10-26)29-18;1-12-7-8-25-20-15(12)9-14(10-16(20)22)19-18(13-5-3-2-4-6-13)27-21(24)17(11-23)26-19;1-10-3-5-23-17-12(10)7-11(8-13(17)20)16-18(14-4-6-27(2)26-14)25-19(22)15(9-21)24-16;1-9-3-5-22-15-11(9)7-10(8-12(15)20)14-16(13-4-6-26(2)25-13)24-18(21)17(19)23-14/h3-11H,1-2H3,(H2,24,27);1-9H,(H2,27,30);2-10H,1H3,(H2,24,27);3-8H,1-2H3,(H2,22,25);3-8H,1-2H3,(H2,21,24)
InChIKeyKPJFYFORJLEWIK-UHFFFAOYSA-N
MW1954.58 g/mol
LogP22.60
Rot. Bonds10

About 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 159201679) has the molecular formula C101H70BrCl4F3N28 and a molecular weight of 1954.58 g/mol. Its IUPAC name is 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID159201679
Molecular FormulaC101H70BrCl4F3N28
Molecular Weight1954.58 g/mol
Exact Mass1950.42
IUPAC Name3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCc1ccnc2c(C)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(Br)c(N)nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc12.N#Cc1nc(-c2cc(Cl)c3nccc(C(F)(F)F)c3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C22H17N5.C21H11ClF3N5.C21H14ClN5.C19H14ClN7.C18H14BrClN6/c1-13-8-9-25-19-14(2)10-16(11-17(13)19)21-20(15-6-4-3-5-7-15)27-22(24)18(12-23)26-21;22-15-9-12(8-13-14(21(23,24)25)6-7-28-19(13)15)18-17(11-4-2-1-3-5-11)30-20(27)16(10-26)29-18;1-12-7-8-25-20-15(12)9-14(10-16(20)22)19-18(13-5-3-2-4-6-13)27-21(24)17(11-23)26-19;1-10-3-5-23-17-12(10)7-11(8-13(17)20)16-18(14-4-6-27(2)26-14)25-19(22)15(9-21)24-16;1-9-3-5-22-15-11(9)7-10(8-12(15)20)14-16(13-4-6-26(2)25-13)24-18(21)17(19)23-14/h3-11H,1-2H3,(H2,24,27);1-9H,(H2,27,30);2-10H,1H3,(H2,24,27);3-8H,1-2H3,(H2,22,25);3-8H,1-2H3,(H2,21,24)
InChIKeyKPJFYFORJLEWIK-UHFFFAOYSA-N
XLogP22.60
TPSA454.25 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.58
LogP ≤ 522.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine with MolForge

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Related Compounds

3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137423788
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 137431195
4-[6-[(6-Aminopyrimidin-4-yl)amino]pyrazolo[4,3-c]pyridin-1-yl]-3,5-dimethylbenzonitrile;3-chloro-5-fluoro-4-[6-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzonitrile;3-chloro-2-[6-[(6-methylpyrimidin-4-yl)amino]pyrazolo[4,3-c]pyridin-1-yl]benzonitrile
CID 156095215
5-[3-[[3-[6-Amino-3-(8-chloroquinolin-6-yl)-5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]methyl]-8-chloroquinolin-6-yl]-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine
CID 156450005
8-(2-Chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-b]pyrazin-5-amine;7-(4-fluorophenyl)-8-quinolin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 158465021
5-(8-chloroquinolin-6-yl)-3-N-[(4-methylpiperazin-1-yl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 160202825
4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 160471449
3-Bromo-5-(8-chloro-6-quinolinyl)-6-(1-methyl-1H-pyrazol-3-yl)-2-pyrazinamine
CID 137423713
6-(8-Chloroquinolin-6-yl)-3-[3-[(6-cyano-3-pyridinyl)amino]propylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137430527
3-Amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137430611
3-Bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430612
6-(8-Chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 137430988

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 159201679) is 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cc1ccnc2c(C)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(Br)c(N)nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc12.N#Cc1nc(-c2cc(Cl)c3nccc(C(F)(F)F)c3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is KPJFYFORJLEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5.C21H11ClF3N5.C21H14ClN5.C19H14ClN7.C18H14BrClN6/c1-13-8-9-25-19-14(2)10-16(11-17(13)19)21-20(15-6-4-3-5-7-15)27-22(24)18(12-23)26-21;22-15-9-12(8-13-14(21(23,24)25)6-7-28-19(13)15)18-17(11-4-2-1-3-5-11)30-20(27)16(10-26)29-18;1-12-7-8-25-20-15(12)9-14(10-16(20)22)19-18(13-5-3-2-4-6-13)27-21(24)17(11-23)26-19;1-10-3-5-23-17-12(10)7-11(8-13(17)20)16-18(14-4-6-27(2)26-14)25-19(22)15(9-21)24-16;1-9-3-5-22-15-11(9)7-10(8-12(15)20)14-16(13-4-6-26(2)25-13)24-18(21)17(19)23-14/h3-11H,1-2H3,(H2,24,27);1-9H,(H2,27,30);2-10H,1H3,(H2,24,27);3-8H,1-2H3,(H2,22,25);3-8H,1-2H3,(H2,21,24).
What are the key properties of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 1954.58 g/mol, XLogP of 22.60, 10 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 159201679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).