[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen

C96H117N25O7S2 — CID 158196062

IUPAC[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33N7O3.C26H29N7O.C23H23N7O.C18H14N4O2S2.9H2/c1-18-6-11-21-22(16-18)34-26(33-21)24-25(30)31-17-23(32-24)19-7-9-20(10-8-19)27(37)35-12-5-13-36(15-14-35)28(38)39-29(2,3)4;1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;1-14-2-7-17-18(12-14)29-22(28-17)20-21(24)26-13-19(27-20)15-3-5-16(6-4-15)23(31)30-10-8-25-9-11-30;1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18;;;;;;;;;/h6-11,16-17H,5,12-15H2,1-4H3,(H2,30,31)(H,33,34);4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29);2-10H,1H3,(H2,19,20);9*1H
InChIKeyGAIUHNUKAZKAPV-UHFFFAOYSA-N
MW1797.29 g/mol
LogP16.65
Rot. Bonds13

About [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen

[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen (PubChem CID 158196062) has the molecular formula C96H117N25O7S2 and a molecular weight of 1797.29 g/mol. Its IUPAC name is [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
PubChem CID158196062
Molecular FormulaC96H117N25O7S2
Molecular Weight1797.29 g/mol
Exact Mass1795.90
IUPAC Name[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33N7O3.C26H29N7O.C23H23N7O.C18H14N4O2S2.9H2/c1-18-6-11-21-22(16-18)34-26(33-21)24-25(30)31-17-23(32-24)19-7-9-20(10-8-19)27(37)35-12-5-13-36(15-14-35)28(38)39-29(2,3)4;1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;1-14-2-7-17-18(12-14)29-22(28-17)20-21(24)26-13-19(27-20)15-3-5-16(6-4-15)23(31)30-10-8-25-9-11-30;1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18;;;;;;;;;/h6-11,16-17H,5,12-15H2,1-4H3,(H2,30,31)(H,33,34);4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29);2-10H,1H3,(H2,19,20);9*1H
InChIKeyGAIUHNUKAZKAPV-UHFFFAOYSA-N
XLogP16.65
TPSA446.01 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.29
LogP ≤ 516.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
The IUPAC name of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen (CID 158196062) is [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen.
What is the SMILES notation for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
The canonical SMILES for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
The InChIKey is GAIUHNUKAZKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O3.C26H29N7O.C23H23N7O.C18H14N4O2S2.9H2/c1-18-6-11-21-22(16-18)34-26(33-21)24-25(30)31-17-23(32-24)19-7-9-20(10-8-19)27(37)35-12-5-13-36(15-14-35)28(38)39-29(2,3)4;1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;1-14-2-7-17-18(12-14)29-22(28-17)20-21(24)26-13-19(27-20)15-3-5-16(6-4-15)23(31)30-10-8-25-9-11-30;1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18;;;;;;;;;/h6-11,16-17H,5,12-15H2,1-4H3,(H2,30,31)(H,33,34);4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29);2-10H,1H3,(H2,19,20);9*1H.
What are the key properties of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen has a molecular weight of 1797.29 g/mol, XLogP of 16.65, 13 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 158196062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).