1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide

C226H225N41O10S4 — CID 159604590

IUPAC1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)n(C)c1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cn1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2)cc1.Cc1ncc(C(=O)NCCCc2ccc(-c3cc(C)c4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)s1
InChIInChI=1S/C25H25N3O.C24H26N4O.C24H24N4O.C24H23N3O.C22H23N5O.C22H21N5O.2C22H22N4OS.C21H20N4OS.C20H19N5OS/c1-17-6-3-4-8-23(17)25(29)26-13-5-7-19-9-11-20(12-10-19)21-14-18(2)24-22(15-21)16-27-28-24;1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3;1-17-5-8-21(15-26-17)24(29)25-13-3-4-18-6-9-19(10-7-18)20-11-12-23-22(14-20)27-16-28(23)2;1-17-5-2-3-7-22(17)24(28)25-14-4-6-18-8-10-19(11-9-18)20-12-13-23-21(15-20)16-26-27-23;1-15-10-20(27(2)14-15)22(28)23-9-3-4-16-5-7-17(8-6-16)18-11-19-13-25-26-21(19)24-12-18;1-15-4-7-18(12-24-15)22(28)23-10-2-3-16-5-8-17(9-6-16)19-11-20-14-26-27-21(20)25-13-19;1-15-24-13-21(28-15)22(27)23-11-3-4-16-5-7-17(8-6-16)18-9-10-20-19(12-18)25-14-26(20)2;1-14-10-18(11-19-12-25-26-21(14)19)17-7-5-16(6-8-17)4-3-9-23-22(27)20-13-24-15(2)28-20;1-14-23-13-20(27-14)21(26)22-10-2-3-15-4-6-16(7-5-15)17-8-9-19-18(11-17)12-24-25-19;1-13-22-12-18(27-13)20(26)21-8-2-3-14-4-6-15(7-5-14)16-9-17-11-24-25-19(17)23-10-16/h3-4,6,8-12,14-16H,5,7,13H2,1-2H3,(H,26,29)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,25,29);5-12,14-16H,3-4,13H2,1-2H3,(H,25,29);2-3,5,7-13,15-16H,4,6,14H2,1H3,(H,25,28)(H,26,27);5-8,10-14H,3-4,9H2,1-2H3,(H,23,28)(H,24,25,26);4-9,11-14H,2-3,10H2,1H3,(H,23,28)(H,25,26,27);5-10,12-14H,3-4,11H2,1-2H3,(H,23,27);5-8,10-13H,3-4,9H2,1-2H3,(H,23,27)(H,25,26);4-9,11-13H,2-3,10H2,1H3,(H,22,26)(H,24,25);4-7,9-12H,2-3,8H2,1H3,(H,21,26)(H,23,24,25)
InChIKeyMLXMLKWKYJQJGE-UHFFFAOYSA-N
MW3803.83 g/mol
LogP43.14
Rot. Bonds60

About 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide

1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 159604590) has the molecular formula C226H225N41O10S4 and a molecular weight of 3803.83 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide
PubChem CID159604590
Molecular FormulaC226H225N41O10S4
Molecular Weight3803.83 g/mol
Exact Mass3800.72
IUPAC Name1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)n(C)c1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cn1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2)cc1.Cc1ncc(C(=O)NCCCc2ccc(-c3cc(C)c4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)s1
InChIInChI=1S/C25H25N3O.C24H26N4O.C24H24N4O.C24H23N3O.C22H23N5O.C22H21N5O.2C22H22N4OS.C21H20N4OS.C20H19N5OS/c1-17-6-3-4-8-23(17)25(29)26-13-5-7-19-9-11-20(12-10-19)21-14-18(2)24-22(15-21)16-27-28-24;1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3;1-17-5-8-21(15-26-17)24(29)25-13-3-4-18-6-9-19(10-7-18)20-11-12-23-22(14-20)27-16-28(23)2;1-17-5-2-3-7-22(17)24(28)25-14-4-6-18-8-10-19(11-9-18)20-12-13-23-21(15-20)16-26-27-23;1-15-10-20(27(2)14-15)22(28)23-9-3-4-16-5-7-17(8-6-16)18-11-19-13-25-26-21(19)24-12-18;1-15-4-7-18(12-24-15)22(28)23-10-2-3-16-5-8-17(9-6-16)19-11-20-14-26-27-21(20)25-13-19;1-15-24-13-21(28-15)22(27)23-11-3-4-16-5-7-17(8-6-16)18-9-10-20-19(12-18)25-14-26(20)2;1-14-10-18(11-19-12-25-26-21(14)19)17-7-5-16(6-8-17)4-3-9-23-22(27)20-13-24-15(2)28-20;1-14-23-13-20(27-14)21(26)22-10-2-3-15-4-6-16(7-5-15)17-8-9-19-18(11-17)12-24-25-19;1-13-22-12-18(27-13)20(26)21-8-2-3-14-4-6-15(7-5-14)16-9-17-11-24-25-19(17)23-10-16/h3-4,6,8-12,14-16H,5,7,13H2,1-2H3,(H,26,29)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,25,29);5-12,14-16H,3-4,13H2,1-2H3,(H,25,29);2-3,5,7-13,15-16H,4,6,14H2,1H3,(H,25,28)(H,26,27);5-8,10-14H,3-4,9H2,1-2H3,(H,23,28)(H,24,25,26);4-9,11-14H,2-3,10H2,1H3,(H,23,28)(H,25,26,27);5-10,12-14H,3-4,11H2,1-2H3,(H,23,27);5-8,10-13H,3-4,9H2,1-2H3,(H,23,27)(H,25,26);4-9,11-13H,2-3,10H2,1H3,(H,22,26)(H,24,25);4-7,9-12H,2-3,8H2,1H3,(H,21,26)(H,23,24,25)
InChIKeyMLXMLKWKYJQJGE-UHFFFAOYSA-N
XLogP43.14
TPSA671.09 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds60
Heavy Atoms281
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003803.83
LogP ≤ 543.14
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide (CID 159604590) is 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide is Cc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)n(C)c1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cn1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2)cc1.Cc1ncc(C(=O)NCCCc2ccc(-c3cc(C)c4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)s1.
What is the InChIKey of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MLXMLKWKYJQJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C24H26N4O.C24H24N4O.C24H23N3O.C22H23N5O.C22H21N5O.2C22H22N4OS.C21H20N4OS.C20H19N5OS/c1-17-6-3-4-8-23(17)25(29)26-13-5-7-19-9-11-20(12-10-19)21-14-18(2)24-22(15-21)16-27-28-24;1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3;1-17-5-8-21(15-26-17)24(29)25-13-3-4-18-6-9-19(10-7-18)20-11-12-23-22(14-20)27-16-28(23)2;1-17-5-2-3-7-22(17)24(28)25-14-4-6-18-8-10-19(11-9-18)20-12-13-23-21(15-20)16-26-27-23;1-15-10-20(27(2)14-15)22(28)23-9-3-4-16-5-7-17(8-6-16)18-11-19-13-25-26-21(19)24-12-18;1-15-4-7-18(12-24-15)22(28)23-10-2-3-16-5-8-17(9-6-16)19-11-20-14-26-27-21(20)25-13-19;1-15-24-13-21(28-15)22(27)23-11-3-4-16-5-7-17(8-6-16)18-9-10-20-19(12-18)25-14-26(20)2;1-14-10-18(11-19-12-25-26-21(14)19)17-7-5-16(6-8-17)4-3-9-23-22(27)20-13-24-15(2)28-20;1-14-23-13-20(27-14)21(26)22-10-2-3-15-4-6-16(7-5-15)17-8-9-19-18(11-17)12-24-25-19;1-13-22-12-18(27-13)20(26)21-8-2-3-14-4-6-15(7-5-14)16-9-17-11-24-25-19(17)23-10-16/h3-4,6,8-12,14-16H,5,7,13H2,1-2H3,(H,26,29)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,25,29);5-12,14-16H,3-4,13H2,1-2H3,(H,25,29);2-3,5,7-13,15-16H,4,6,14H2,1H3,(H,25,28)(H,26,27);5-8,10-14H,3-4,9H2,1-2H3,(H,23,28)(H,24,25,26);4-9,11-14H,2-3,10H2,1H3,(H,23,28)(H,25,26,27);5-10,12-14H,3-4,11H2,1-2H3,(H,23,27);5-8,10-13H,3-4,9H2,1-2H3,(H,23,27)(H,25,26);4-9,11-13H,2-3,10H2,1H3,(H,22,26)(H,24,25);4-7,9-12H,2-3,8H2,1H3,(H,21,26)(H,23,24,25).
What are the key properties of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide?
1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 3803.83 g/mol, XLogP of 43.14, 60 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159604590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).