3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile

C97H72Cl4N28O — CID 157383580

IUPAC3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile
SMILESCC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cc1ccc(CNc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)cc1.Cn1ccc(-c2nc(NCCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/2C26H20ClN7.C25H18ClN7.C20H14ClN7O/c1-16-5-7-17(8-6-16)15-30-26-22(14-28)31-24(25(32-26)21-9-11-34(2)33-21)19-12-18-4-3-10-29-23(18)20(27)13-19;1-34-13-10-21(33-34)25-24(19-14-18-8-5-11-29-23(18)20(27)15-19)31-22(16-28)26(32-25)30-12-9-17-6-3-2-4-7-17;1-33-11-9-20(32-33)24-23(18-12-17-8-5-10-28-22(17)19(26)13-18)30-21(14-27)25(31-24)29-15-16-6-3-2-4-7-16;1-11(29)24-20-16(10-22)25-18(19(26-20)15-5-7-28(2)27-15)13-8-12-4-3-6-23-17(12)14(21)9-13/h3-13H,15H2,1-2H3,(H,30,32);2-8,10-11,13-15H,9,12H2,1H3,(H,30,32);2-13H,15H2,1H3,(H,29,31);3-9H,1-2H3,(H,24,26,29)
InChIKeyBLDZKOMPNSSJGD-UHFFFAOYSA-N
MW1787.65 g/mol
LogP19.62
Rot. Bonds19

About 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile

3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile (PubChem CID 157383580) has the molecular formula C97H72Cl4N28O and a molecular weight of 1787.65 g/mol. Its IUPAC name is 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile
PubChem CID157383580
Molecular FormulaC97H72Cl4N28O
Molecular Weight1787.65 g/mol
Exact Mass1784.52
IUPAC Name3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile
SMILESCC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cc1ccc(CNc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)cc1.Cn1ccc(-c2nc(NCCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/2C26H20ClN7.C25H18ClN7.C20H14ClN7O/c1-16-5-7-17(8-6-16)15-30-26-22(14-28)31-24(25(32-26)21-9-11-34(2)33-21)19-12-18-4-3-10-29-23(18)20(27)13-19;1-34-13-10-21(33-34)25-24(19-14-18-8-5-11-29-23(18)20(27)15-19)31-22(16-28)26(32-25)30-12-9-17-6-3-2-4-7-17;1-33-11-9-20(32-33)24-23(18-12-17-8-5-10-28-22(17)19(26)13-18)30-21(14-27)25(31-24)29-15-16-6-3-2-4-7-16;1-11(29)24-20-16(10-22)25-18(19(26-20)15-5-7-28(2)27-15)13-8-12-4-3-6-23-17(12)14(21)9-13/h3-13H,15H2,1-2H3,(H,30,32);2-8,10-11,13-15H,9,12H2,1H3,(H,30,32);2-13H,15H2,1H3,(H,29,31);3-9H,1-2H3,(H,24,26,29)
InChIKeyBLDZKOMPNSSJGD-UHFFFAOYSA-N
XLogP19.62
TPSA386.31 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.65
LogP ≤ 519.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;4-methyl-1-propan-2-ylcyclohexene;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 157476195
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
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
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopropylurea;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2,2,2-trifluoroethylamino)pyrazine-2-carbonitrile;6-(4-chloronaphthalen-2-yl)-3-(3-methylbut-2-enylamino)-5-phenylpyrazine-2-carbonitrile;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-methylurea;6-(8-chloroquinolin-6-yl)-5-phenyl-3-(2,2,2-trifluoroethylamino)pyrazine-2-carbonitrile
CID 161562913
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide
CID 137430214
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137430227
1-[5-(8-Chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea
CID 137430376
[5-(8-Chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
CID 137430386
1-[5-(8-Chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-propan-2-ylurea
CID 137430387
1-[5-(8-Chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethylurea
CID 137430397
6-(8-Chloroquinolin-6-yl)-3-[3-[(6-cyano-3-pyridinyl)amino]propylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137430527
3-[[5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-(4-methylphenyl)propanamide
CID 137430531

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile (CID 157383580) is 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile is CC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cc1ccc(CNc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)cc1.Cn1ccc(-c2nc(NCCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
The InChIKey is BLDZKOMPNSSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20ClN7.C25H18ClN7.C20H14ClN7O/c1-16-5-7-17(8-6-16)15-30-26-22(14-28)31-24(25(32-26)21-9-11-34(2)33-21)19-12-18-4-3-10-29-23(18)20(27)13-19;1-34-13-10-21(33-34)25-24(19-14-18-8-5-11-29-23(18)20(27)15-19)31-22(16-28)26(32-25)30-12-9-17-6-3-2-4-7-17;1-33-11-9-20(32-33)24-23(18-12-17-8-5-10-28-22(17)19(26)13-18)30-21(14-27)25(31-24)29-15-16-6-3-2-4-7-16;1-11(29)24-20-16(10-22)25-18(19(26-20)15-5-7-28(2)27-15)13-8-12-4-3-6-23-17(12)14(21)9-13/h3-13H,15H2,1-2H3,(H,30,32);2-8,10-11,13-15H,9,12H2,1H3,(H,30,32);2-13H,15H2,1H3,(H,29,31);3-9H,1-2H3,(H,24,26,29).
What are the key properties of 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile has a molecular weight of 1787.65 g/mol, XLogP of 19.62, 19 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 157383580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).