3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one

C183H211N33O8S2 — CID 159245628

IUPAC3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one
SMILESCC(CC(=O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1nc2ccccc2[nH]1.CCC(CC(=O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1nc2ccccc2[nH]1.Cc1[nH]c2ccc(CN3CCN(C(=O)CCc4cncs4)CC3)cc2c1C.Cc1[nH]c2ccc(CN3CCN(C(=O)CCc4nccs4)CC3)cc2c1C.Cc1cc2nc(CCC(=O)C3CCN(Cc4ccc5[nH]ccc5c4)CC3)[nH]c2cc1C.O=C(CCc1cnccn1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.O=C(CCc1nc2ccccc2[nH]1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.O=C(Cc1cccnn1)N1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/2C26H30N4O.C25H28N4O.C24H26N4O.2C21H26N4OS.C21H24N4O.C19H21N5O/c1-17-13-23-24(14-18(17)2)29-26(28-23)6-5-25(31)20-8-11-30(12-9-20)16-19-3-4-22-21(15-19)7-10-27-22;1-2-19(26-28-23-5-3-4-6-24(23)29-26)16-25(31)20-10-13-30(14-11-20)17-18-7-8-22-21(15-18)9-12-27-22;1-17(25-27-22-4-2-3-5-23(22)28-25)14-24(30)19-9-12-29(13-10-19)16-18-6-7-21-20(15-18)8-11-26-21;29-23(7-8-24-26-21-3-1-2-4-22(21)27-24)18-10-13-28(14-11-18)16-17-5-6-20-19(15-17)9-12-25-20;1-15-16(2)23-20-5-3-17(11-19(15)20)13-24-7-9-25(10-8-24)21(26)6-4-18-12-22-14-27-18;1-15-16(2)23-19-4-3-17(13-18(15)19)14-24-8-10-25(11-9-24)21(26)6-5-20-22-7-12-27-20;26-21(4-2-19-14-22-9-10-23-19)17-6-11-25(12-7-17)15-16-1-3-20-18(13-16)5-8-24-20;25-19(13-17-2-1-6-21-22-17)24-10-8-23(9-11-24)14-15-3-4-18-16(12-15)5-7-20-18/h3-4,7,10,13-15,20,27H,5-6,8-9,11-12,16H2,1-2H3,(H,28,29);3-9,12,15,19-20,27H,2,10-11,13-14,16-17H2,1H3,(H,28,29);2-8,11,15,17,19,26H,9-10,12-14,16H2,1H3,(H,27,28);1-6,9,12,15,18,25H,7-8,10-11,13-14,16H2,(H,26,27);3,5,11-12,14,23H,4,6-10,13H2,1-2H3;3-4,7,12-13,23H,5-6,8-11,14H2,1-2H3;1,3,5,8-10,13-14,17,24H,2,4,6-7,11-12,15H2;1-7,12,20H,8-11,13-14H2
InChIKeyKUQLQORJBINJGN-UHFFFAOYSA-N
MW3065.06 g/mol
LogP32.21
Rot. Bonds45

About 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one

3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 159245628) has the molecular formula C183H211N33O8S2 and a molecular weight of 3065.06 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one
PubChem CID159245628
Molecular FormulaC183H211N33O8S2
Molecular Weight3065.06 g/mol
Exact Mass3062.66
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one
SMILESCC(CC(=O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1nc2ccccc2[nH]1.CCC(CC(=O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1nc2ccccc2[nH]1.Cc1[nH]c2ccc(CN3CCN(C(=O)CCc4cncs4)CC3)cc2c1C.Cc1[nH]c2ccc(CN3CCN(C(=O)CCc4nccs4)CC3)cc2c1C.Cc1cc2nc(CCC(=O)C3CCN(Cc4ccc5[nH]ccc5c4)CC3)[nH]c2cc1C.O=C(CCc1cnccn1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.O=C(CCc1nc2ccccc2[nH]1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.O=C(Cc1cccnn1)N1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/2C26H30N4O.C25H28N4O.C24H26N4O.2C21H26N4OS.C21H24N4O.C19H21N5O/c1-17-13-23-24(14-18(17)2)29-26(28-23)6-5-25(31)20-8-11-30(12-9-20)16-19-3-4-22-21(15-19)7-10-27-22;1-2-19(26-28-23-5-3-4-6-24(23)29-26)16-25(31)20-10-13-30(14-11-20)17-18-7-8-22-21(15-18)9-12-27-22;1-17(25-27-22-4-2-3-5-23(22)28-25)14-24(30)19-9-12-29(13-10-19)16-18-6-7-21-20(15-18)8-11-26-21;29-23(7-8-24-26-21-3-1-2-4-22(21)27-24)18-10-13-28(14-11-18)16-17-5-6-20-19(15-17)9-12-25-20;1-15-16(2)23-20-5-3-17(11-19(15)20)13-24-7-9-25(10-8-24)21(26)6-4-18-12-22-14-27-18;1-15-16(2)23-19-4-3-17(13-18(15)19)14-24-8-10-25(11-9-24)21(26)6-5-20-22-7-12-27-20;26-21(4-2-19-14-22-9-10-23-19)17-6-11-25(12-7-17)15-16-1-3-20-18(13-16)5-8-24-20;25-19(13-17-2-1-6-21-22-17)24-10-8-23(9-11-24)14-15-3-4-18-16(12-15)5-7-20-18/h3-4,7,10,13-15,20,27H,5-6,8-9,11-12,16H2,1-2H3,(H,28,29);3-9,12,15,19-20,27H,2,10-11,13-14,16-17H2,1H3,(H,28,29);2-8,11,15,17,19,26H,9-10,12-14,16H2,1H3,(H,27,28);1-6,9,12,15,18,25H,7-8,10-11,13-14,16H2,(H,26,27);3,5,11-12,14,23H,4,6-10,13H2,1-2H3;3-4,7,12-13,23H,5-6,8-11,14H2,1-2H3;1,3,5,8-10,13-14,17,24H,2,4,6-7,11-12,15H2;1-7,12,20H,8-11,13-14H2
InChIKeyKUQLQORJBINJGN-UHFFFAOYSA-N
XLogP32.21
TPSA490.58 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003065.06
LogP ≤ 532.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]indazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145650626
2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;tert-butyl 4-[[5-(6-ethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]piperidine-1-carboxylate;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 157066875
3-(1H-benzimidazol-2-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;N-[[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-cyclopentylmethanamine;3-(1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine;3-methyl-N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157087490
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157331405
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 157589075
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-dihydroindol-2-one;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157627259
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(2-phenylethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 158570745
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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 158867652
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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 159842593
CID 160271648
CID 160271648

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one (CID 159245628) is 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one is CC(CC(=O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1nc2ccccc2[nH]1.CCC(CC(=O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1nc2ccccc2[nH]1.Cc1[nH]c2ccc(CN3CCN(C(=O)CCc4cncs4)CC3)cc2c1C.Cc1[nH]c2ccc(CN3CCN(C(=O)CCc4nccs4)CC3)cc2c1C.Cc1cc2nc(CCC(=O)C3CCN(Cc4ccc5[nH]ccc5c4)CC3)[nH]c2cc1C.O=C(CCc1cnccn1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.O=C(CCc1nc2ccccc2[nH]1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.O=C(Cc1cccnn1)N1CCN(Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is KUQLQORJBINJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30N4O.C25H28N4O.C24H26N4O.2C21H26N4OS.C21H24N4O.C19H21N5O/c1-17-13-23-24(14-18(17)2)29-26(28-23)6-5-25(31)20-8-11-30(12-9-20)16-19-3-4-22-21(15-19)7-10-27-22;1-2-19(26-28-23-5-3-4-6-24(23)29-26)16-25(31)20-10-13-30(14-11-20)17-18-7-8-22-21(15-18)9-12-27-22;1-17(25-27-22-4-2-3-5-23(22)28-25)14-24(30)19-9-12-29(13-10-19)16-18-6-7-21-20(15-18)8-11-26-21;29-23(7-8-24-26-21-3-1-2-4-22(21)27-24)18-10-13-28(14-11-18)16-17-5-6-20-19(15-17)9-12-25-20;1-15-16(2)23-20-5-3-17(11-19(15)20)13-24-7-9-25(10-8-24)21(26)6-4-18-12-22-14-27-18;1-15-16(2)23-19-4-3-17(13-18(15)19)14-24-8-10-25(11-9-24)21(26)6-5-20-22-7-12-27-20;26-21(4-2-19-14-22-9-10-23-19)17-6-11-25(12-7-17)15-16-1-3-20-18(13-16)5-8-24-20;25-19(13-17-2-1-6-21-22-17)24-10-8-23(9-11-24)14-15-3-4-18-16(12-15)5-7-20-18/h3-4,7,10,13-15,20,27H,5-6,8-9,11-12,16H2,1-2H3,(H,28,29);3-9,12,15,19-20,27H,2,10-11,13-14,16-17H2,1H3,(H,28,29);2-8,11,15,17,19,26H,9-10,12-14,16H2,1H3,(H,27,28);1-6,9,12,15,18,25H,7-8,10-11,13-14,16H2,(H,26,27);3,5,11-12,14,23H,4,6-10,13H2,1-2H3;3-4,7,12-13,23H,5-6,8-11,14H2,1-2H3;1,3,5,8-10,13-14,17,24H,2,4,6-7,11-12,15H2;1-7,12,20H,8-11,13-14H2.
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one?
3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 3065.06 g/mol, XLogP of 32.21, 45 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 159245628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).