3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

C86H60ClFN36 — CID 157392492

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1c[nH]cc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.Cc1cc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c[nH]1.Cc1cn(C)cc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cn[nH]n2)nc1N.N#Cc1nc(-c2cc(F)c3[nH]ncc3c2)c(-c2ncn[nH]2)nc1N
InChIInChI=1S/C20H16N6.2C19H14N6.C14H8ClN9.C14H8FN9/c1-12-10-26(2)11-15(12)19-18(24-17(9-21)20(22)25-19)14-5-6-16-13(8-14)4-3-7-23-16;1-11-9-22-10-14(11)18-17(24-16(8-20)19(21)25-18)13-4-5-15-12(7-13)3-2-6-23-15;1-11-7-14(10-23-11)18-17(24-16(9-20)19(21)25-18)13-4-5-15-12(8-13)3-2-6-22-15;15-8-2-6(1-7-4-18-23-11(7)8)12-13(10-5-19-24-22-10)21-14(17)9(3-16)20-12;15-8-2-6(1-7-4-19-23-10(7)8)11-12(14-18-5-20-24-14)22-13(17)9(3-16)21-11/h3-8,10-11H,1-2H3,(H2,22,25);2-7,9-10,22H,1H3,(H2,21,25);2-8,10,23H,1H3,(H2,21,25);1-2,4-5H,(H2,17,21)(H,18,23)(H,19,22,24);1-2,4-5H,(H2,17,22)(H,19,23)(H,18,20,24)
InChIKeyBMEALZHAYZMGOK-UHFFFAOYSA-N
MW1652.13 g/mol
LogP13.67
Rot. Bonds10

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 157392492) has the molecular formula C86H60ClFN36 and a molecular weight of 1652.13 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID157392492
Molecular FormulaC86H60ClFN36
Molecular Weight1652.13 g/mol
Exact Mass1650.55
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1c[nH]cc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.Cc1cc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c[nH]1.Cc1cn(C)cc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cn[nH]n2)nc1N.N#Cc1nc(-c2cc(F)c3[nH]ncc3c2)c(-c2ncn[nH]2)nc1N
InChIInChI=1S/C20H16N6.2C19H14N6.C14H8ClN9.C14H8FN9/c1-12-10-26(2)11-15(12)19-18(24-17(9-21)20(22)25-19)14-5-6-16-13(8-14)4-3-7-23-16;1-11-9-22-10-14(11)18-17(24-16(8-20)19(21)25-18)13-4-5-15-12(7-13)3-2-6-23-15;1-11-7-14(10-23-11)18-17(24-16(9-20)19(21)25-18)13-4-5-15-12(8-13)3-2-6-22-15;15-8-2-6(1-7-4-18-23-11(7)8)12-13(10-5-19-24-22-10)21-14(17)9(3-16)20-12;15-8-2-6(1-7-4-19-23-10(7)8)11-12(14-18-5-20-24-14)22-13(17)9(3-16)21-11/h3-8,10-11H,1-2H3,(H2,22,25);2-7,9-10,22H,1H3,(H2,21,25);2-8,10,23H,1H3,(H2,21,25);1-2,4-5H,(H2,17,21)(H,18,23)(H,19,22,24);1-2,4-5H,(H2,17,22)(H,19,23)(H,18,20,24)
InChIKeyBMEALZHAYZMGOK-UHFFFAOYSA-N
XLogP13.67
TPSA593.63 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001652.13
LogP ≤ 513.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile with MolForge

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Related Compounds

4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]pyridine-2-carbonitrile
CID 134381096
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]pyridine-2-carbonitrile
CID 134381252
4-[6-[2-[(2-chloroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,5-difluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035490
2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine
CID 136654835
2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
CID 137076350
4-amino-6-[[(1S)-1-[3-chloro-6-[3-[6-[[(1R)-1-[3-chloro-6-[3-[6-[[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]-9H-purin-8-yl]phenyl]imidazo[1,2-b]pyridazin-7-yl]propyl]amino]-9H-purin-8-yl]-5-fluorophenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 138602694
N-(1-cyclohexylethenyl)-5-[3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;ethane
CID 145308173
3-[4-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]-7-[2-[4-[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]piperazin-1-yl]propyl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-7-ium
CID 145664852
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
N-[3-[2-[1-[[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(ethylaminomethyl)-3-pyridinyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 156156377
5-chloro-N-[1-[[5-[2,4-difluoro-3-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-1H-indazol-5-yl]phenyl]-1H-imidazol-2-yl]methyl]piperidin-3-yl]-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 156334013
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;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
CID 157209259

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 157392492) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is Cc1c[nH]cc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.Cc1cc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c[nH]1.Cc1cn(C)cc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cn[nH]n2)nc1N.N#Cc1nc(-c2cc(F)c3[nH]ncc3c2)c(-c2ncn[nH]2)nc1N.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is BMEALZHAYZMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6.2C19H14N6.C14H8ClN9.C14H8FN9/c1-12-10-26(2)11-15(12)19-18(24-17(9-21)20(22)25-19)14-5-6-16-13(8-14)4-3-7-23-16;1-11-9-22-10-14(11)18-17(24-16(8-20)19(21)25-18)13-4-5-15-12(7-13)3-2-6-23-15;1-11-7-14(10-23-11)18-17(24-16(9-20)19(21)25-18)13-4-5-15-12(8-13)3-2-6-22-15;15-8-2-6(1-7-4-18-23-11(7)8)12-13(10-5-19-24-22-10)21-14(17)9(3-16)20-12;15-8-2-6(1-7-4-19-23-10(7)8)11-12(14-18-5-20-24-14)22-13(17)9(3-16)21-11/h3-8,10-11H,1-2H3,(H2,22,25);2-7,9-10,22H,1H3,(H2,21,25);2-8,10,23H,1H3,(H2,21,25);1-2,4-5H,(H2,17,21)(H,18,23)(H,19,22,24);1-2,4-5H,(H2,17,22)(H,19,23)(H,18,20,24).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile has a molecular weight of 1652.13 g/mol, XLogP of 13.67, 10 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 157392492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).