bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile

C101H73Cl4N25 — CID 158901549

IUPACbis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile
SMILESCn1ccc(CCNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1ccccc1
InChIInChI=1S/C26H19ClN6.C25H20ClN7.2C25H17ClN6/c27-21-14-19(13-20-16-30-33-23(20)21)25-24(18-9-5-2-6-10-18)32-26(22(15-28)31-25)29-12-11-17-7-3-1-4-8-17;1-33-10-8-16(15-33)7-9-28-25-21(13-27)30-24(23(31-25)17-5-3-2-4-6-17)18-11-19-14-29-32-22(19)20(26)12-18;2*26-20-12-18(11-19-15-29-32-22(19)20)24-23(17-9-5-2-6-10-17)31-25(21(13-27)30-24)28-14-16-7-3-1-4-8-16/h1-10,13-14,16H,11-12H2,(H,29,32)(H,30,33);2-6,8,10-12,14-15H,7,9H2,1H3,(H,28,31)(H,29,32);2*1-12,15H,14H2,(H,28,31)(H,29,32)
InChIKeyJFMYCYWCIGMGQM-UHFFFAOYSA-N
MW1778.68 g/mol
LogP22.72
Rot. Bonds22

About bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile

bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile (PubChem CID 158901549) has the molecular formula C101H73Cl4N25 and a molecular weight of 1778.68 g/mol. Its IUPAC name is bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Namebis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile
PubChem CID158901549
Molecular FormulaC101H73Cl4N25
Molecular Weight1778.68 g/mol
Exact Mass1775.52
IUPAC Namebis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile
SMILESCn1ccc(CCNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1ccccc1
InChIInChI=1S/C26H19ClN6.C25H20ClN7.2C25H17ClN6/c27-21-14-19(13-20-16-30-33-23(20)21)25-24(18-9-5-2-6-10-18)32-26(22(15-28)31-25)29-12-11-17-7-3-1-4-8-17;1-33-10-8-16(15-33)7-9-28-25-21(13-27)30-24(23(31-25)17-5-3-2-4-6-17)18-11-19-14-29-32-22(19)20(26)12-18;2*26-20-12-18(11-19-15-29-32-22(19)20)24-23(17-9-5-2-6-10-17)31-25(21(13-27)30-24)28-14-16-7-3-1-4-8-16/h1-10,13-14,16H,11-12H2,(H,29,32)(H,30,33);2-6,8,10-12,14-15H,7,9H2,1H3,(H,28,31)(H,29,32);2*1-12,15H,14H2,(H,28,31)(H,29,32)
InChIKeyJFMYCYWCIGMGQM-UHFFFAOYSA-N
XLogP22.72
TPSA366.05 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.68
LogP ≤ 522.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 137430589
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 137431341
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-[[2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]methyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 154939197
4-chloro-1,3-dimethylindole;7-chloro-3-methyl-2H-indazole;1-cyclopropyl-3-methylindazole;1,3-dimethylindazole;3,7-dimethyl-2H-indazole;2,3-dimethyl-1H-indole;3,7-dimethyl-1H-indole;1,3-dimethylpyrazolo[5,4-b]pyridine;1,3-dimethylpyrazolo[4,5-c]pyridine;1,3-dimethylpyrazolo[3,4-d]pyrimidine;1,3-dimethylpyrrolo[2,3-b]pyridine;1,3-dimethylpyrrolo[3,2-b]pyridine;1,3-dimethylpyrrolo[2,3-c]pyridine;1,3-dimethylpyrrolo[3,2-c]pyridine;3,7-dimethyl-1H-pyrrolo[2,3-c]pyridine;1,3-dimethyl-7-(trifluoromethyl)indole;3-methyl-2H-indazole;3-methyl-1H-indole-7-carbonitrile;3-methyl-1-(trideuteriomethyl)indole;3-methyl-7-(trifluoromethyl)-2H-indazole;3-methyl-7-(trifluoromethyl)-1H-indole;1,3,4-trimethylindole;1,3,6-trimethylpyrrolo[2,3-b]pyridine;1,3,7-trimethylpyrrolo[2,3-c]pyridine
CID 158018596
4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]sulfanylmethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 158654319
3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 159115619
7-chloro-1H-indazole;4-chloro-1-methylindole;1-cyclopropylindazole;1,3-dihydrobenzimidazol-2-one;1,4-dimethylindole;1,6-dimethylpyrrolo[2,3-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1H-indazole;1H-indole-7-carbonitrile;1-methylindazole;7-methyl-1H-indazole;2-methyl-1H-indole;7-methyl-1H-indole;1-methylpyrazolo[5,4-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[3,4-d]pyrimidine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;7-methyl-1H-pyrrolo[2,3-c]pyridine;1-methyl-7-(trifluoromethyl)indole;1-(trideuteriomethyl)indole;7-(trifluoromethyl)-1H-indazole;7-(trifluoromethyl)-1H-indole
CID 159440316
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
3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2-chlorophenyl)pyridazin-3-yl]-1H-indazol-3-amine;5-(1H-indazol-3-ylamino)-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
CID 160430030
3-chloro-5-methyl-2H-indazole;7-chloro-5-methyl-1H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinazolin-2-amine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161222129
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
CID 161296113
3-chloro-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-5-quinolin-6-yl-3-(trifluoromethyl)pyrazin-2-amine
CID 161661402

Frequently Asked Questions

What is the IUPAC name of bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile (CID 158901549) is bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile is Cn1ccc(CCNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1ccccc1.
What is the InChIKey of bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
The InChIKey is JFMYCYWCIGMGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN6.C25H20ClN7.2C25H17ClN6/c27-21-14-19(13-20-16-30-33-23(20)21)25-24(18-9-5-2-6-10-18)32-26(22(15-28)31-25)29-12-11-17-7-3-1-4-8-17;1-33-10-8-16(15-33)7-9-28-25-21(13-27)30-24(23(31-25)17-5-3-2-4-6-17)18-11-19-14-29-32-22(19)20(26)12-18;2*26-20-12-18(11-19-15-29-32-22(19)20)24-23(17-9-5-2-6-10-17)31-25(21(13-27)30-24)28-14-16-7-3-1-4-8-16/h1-10,13-14,16H,11-12H2,(H,29,32)(H,30,33);2-6,8,10-12,14-15H,7,9H2,1H3,(H,28,31)(H,29,32);2*1-12,15H,14H2,(H,28,31)(H,29,32).
What are the key properties of bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile?
bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile has a molecular weight of 1778.68 g/mol, XLogP of 22.72, 22 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 158901549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).