3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen

C89H91N27O9S3 — CID 162143138

IUPAC3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
SMILESCOc1ccc(C)cc1NC(=O)c1nc(-c2cccnc2)cnc1N.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4c(O)cccc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)cc1.Nc1ncc(-c2ccccc2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H14N6O2S.C18H15N5O3S.C18H17N5O2.C17H14N6O2S.C17H13N5.9H2/c1-28(26,27)13-5-3-12(4-6-13)16-10-22-18(21)17(23-16)19-24-14-7-2-11(9-20)8-15(14)25-19;1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18;1-11-5-6-15(25-2)13(8-11)23-18(24)16-17(19)21-10-14(22-16)12-4-3-7-20-9-12;1-26(24,25)11-6-4-10(5-7-11)13-9-20-15(18)14(21-13)17-22-12-3-2-8-19-16(12)23-17;18-16-15(17-21-12-8-4-5-9-13(12)22-17)20-14(10-19-16)11-6-2-1-3-7-11;;;;;;;;;/h2-8,10H,1H3,(H2,21,22)(H,24,25);2-9,24H,1H3,(H2,19,20)(H,22,23);3-10H,1-2H3,(H2,19,21)(H,23,24);2-9H,1H3,(H2,18,20)(H,19,22,23);1-10H,(H2,18,19)(H,21,22);9*1H
InChIKeyZKEQSGBWXLXFLY-UHFFFAOYSA-N
MW1779.09 g/mol
LogP15.16
Rot. Bonds15

About 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen

3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen (PubChem CID 162143138) has the molecular formula C89H91N27O9S3 and a molecular weight of 1779.09 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
PubChem CID162143138
Molecular FormulaC89H91N27O9S3
Molecular Weight1779.09 g/mol
Exact Mass1777.67
IUPAC Name3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
SMILESCOc1ccc(C)cc1NC(=O)c1nc(-c2cccnc2)cnc1N.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4c(O)cccc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)cc1.Nc1ncc(-c2ccccc2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H14N6O2S.C18H15N5O3S.C18H17N5O2.C17H14N6O2S.C17H13N5.9H2/c1-28(26,27)13-5-3-12(4-6-13)16-10-22-18(21)17(23-16)19-24-14-7-2-11(9-20)8-15(14)25-19;1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18;1-11-5-6-15(25-2)13(8-11)23-18(24)16-17(19)21-10-14(22-16)12-4-3-7-20-9-12;1-26(24,25)11-6-4-10(5-7-11)13-9-20-15(18)14(21-13)17-22-12-3-2-8-19-16(12)23-17;18-16-15(17-21-12-8-4-5-9-13(12)22-17)20-14(10-19-16)11-6-2-1-3-7-11;;;;;;;;;/h2-8,10H,1H3,(H2,21,22)(H,24,25);2-9,24H,1H3,(H2,19,20)(H,22,23);3-10H,1-2H3,(H2,19,21)(H,23,24);2-9H,1H3,(H2,18,20)(H,19,22,23);1-10H,(H2,18,19)(H,21,22);9*1H
InChIKeyZKEQSGBWXLXFLY-UHFFFAOYSA-N
XLogP15.16
TPSA584.27 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.09
LogP ≤ 515.16
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen with MolForge

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Related Compounds

3-amino-6-(1H-indazol-5-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
CID 157265685
2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;bis(3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine);molecular hydrogen
CID 157359260
2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 161163420
N-(3-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 161824666
N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 162003694

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The IUPAC name of 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen (CID 162143138) is 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen is COc1ccc(C)cc1NC(=O)c1nc(-c2cccnc2)cnc1N.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4c(O)cccc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)cc1.Nc1ncc(-c2ccccc2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The InChIKey is ZKEQSGBWXLXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S.C18H15N5O3S.C18H17N5O2.C17H14N6O2S.C17H13N5.9H2/c1-28(26,27)13-5-3-12(4-6-13)16-10-22-18(21)17(23-16)19-24-14-7-2-11(9-20)8-15(14)25-19;1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18;1-11-5-6-15(25-2)13(8-11)23-18(24)16-17(19)21-10-14(22-16)12-4-3-7-20-9-12;1-26(24,25)11-6-4-10(5-7-11)13-9-20-15(18)14(21-13)17-22-12-3-2-8-19-16(12)23-17;18-16-15(17-21-12-8-4-5-9-13(12)22-17)20-14(10-19-16)11-6-2-1-3-7-11;;;;;;;;;/h2-8,10H,1H3,(H2,21,22)(H,24,25);2-9,24H,1H3,(H2,19,20)(H,22,23);3-10H,1-2H3,(H2,19,21)(H,23,24);2-9H,1H3,(H2,18,20)(H,19,22,23);1-10H,(H2,18,19)(H,21,22);9*1H.
What are the key properties of 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen has a molecular weight of 1779.09 g/mol, XLogP of 15.16, 15 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 162143138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).