3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile

C102H59Cl2N33OS2 — CID 159261519

IUPAC3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cc3ccccc3s2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cc3ccccn3n2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3o2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3s2)nc1N
InChIInChI=1S/C21H13N7.C21H12N6O.C21H12N6S.C20H11ClN6S.C19H11ClN8/c22-11-17-20(23)28-19(21-26-15-5-1-2-6-16(15)27-21)18(25-17)13-7-8-14-12(10-13)4-3-9-24-14;2*22-11-16-20(23)27-19(21-26-15-5-1-2-6-17(15)28-21)18(25-16)13-7-8-14-12(10-13)4-3-9-24-14;21-13-6-11(5-12-9-24-27-17(12)13)18-19(26-20(23)14(8-22)25-18)16-7-10-3-1-2-4-15(10)28-16;20-13-6-10(5-11-9-23-26-16(11)13)17-18(25-19(22)15(8-21)24-17)14-7-12-3-1-2-4-28(12)27-14/h1-10H,(H2,23,28)(H,26,27);2*1-10H,(H2,23,27);1-7,9H,(H2,23,26)(H,24,27);1-7,9H,(H2,22,25)(H,23,26)
InChIKeyKWOLTHUEVAQRIJ-UHFFFAOYSA-N
MW1897.86 g/mol
LogP20.52
Rot. Bonds10

About 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile

3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile (PubChem CID 159261519) has the molecular formula C102H59Cl2N33OS2 and a molecular weight of 1897.86 g/mol. Its IUPAC name is 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile
PubChem CID159261519
Molecular FormulaC102H59Cl2N33OS2
Molecular Weight1897.86 g/mol
Exact Mass1895.44
IUPAC Name3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cc3ccccc3s2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cc3ccccn3n2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3o2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3s2)nc1N
InChIInChI=1S/C21H13N7.C21H12N6O.C21H12N6S.C20H11ClN6S.C19H11ClN8/c22-11-17-20(23)28-19(21-26-15-5-1-2-6-16(15)27-21)18(25-17)13-7-8-14-12(10-13)4-3-9-24-14;2*22-11-16-20(23)27-19(21-26-15-5-1-2-6-17(15)28-21)18(25-16)13-7-8-14-12(10-13)4-3-9-24-14;21-13-6-11(5-12-9-24-27-17(12)13)18-19(26-20(23)14(8-22)25-18)16-7-10-3-1-2-4-15(10)28-16;20-13-6-10(5-11-9-23-26-16(11)13)17-18(25-19(22)15(8-21)24-17)14-7-12-3-1-2-4-28(12)27-14/h1-10H,(H2,23,28)(H,26,27);2*1-10H,(H2,23,27);1-7,9H,(H2,23,26)(H,24,27);1-7,9H,(H2,22,25)(H,23,26)
InChIKeyKWOLTHUEVAQRIJ-UHFFFAOYSA-N
XLogP20.52
TPSA558.88 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds10
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.86
LogP ≤ 520.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile with MolForge

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Related Compounds

6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157085973
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162116184
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;6-methyl-7H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-isoindole;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157094208
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,2-benzoxazole;1,3-benzoxazole;furo[2,3-b]pyridine;1H-indazole;1H-indole;octadecakis(2-methylpropane);[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrrolo[2,3-b]pyridine;quinazoline;quinoline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine
CID 157175988
1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157193808
methane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 157217197

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile (CID 159261519) is 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cc3ccccc3s2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cc3ccccn3n2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3o2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2nc3ccccc3s2)nc1N.
What is the InChIKey of 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile?
The InChIKey is KWOLTHUEVAQRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N7.C21H12N6O.C21H12N6S.C20H11ClN6S.C19H11ClN8/c22-11-17-20(23)28-19(21-26-15-5-1-2-6-16(15)27-21)18(25-17)13-7-8-14-12(10-13)4-3-9-24-14;2*22-11-16-20(23)27-19(21-26-15-5-1-2-6-17(15)28-21)18(25-16)13-7-8-14-12(10-13)4-3-9-24-14;21-13-6-11(5-12-9-24-27-17(12)13)18-19(26-20(23)14(8-22)25-18)16-7-10-3-1-2-4-15(10)28-16;20-13-6-10(5-11-9-23-26-16(11)13)17-18(25-19(22)15(8-21)24-17)14-7-12-3-1-2-4-28(12)27-14/h1-10H,(H2,23,28)(H,26,27);2*1-10H,(H2,23,27);1-7,9H,(H2,23,26)(H,24,27);1-7,9H,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile?
3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile has a molecular weight of 1897.86 g/mol, XLogP of 20.52, 10 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1H-benzimidazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-benzothiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1-benzothiophen-2-yl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(1,3-benzoxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-pyrazolo[1,5-a]pyridin-2-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 159261519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).