[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

C152H172ClF3N24O9S2+2 — CID 162300950

IUPAC[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCCCCNC(=O)C1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1.Cc1cc(C)c2cc(C(=O)N3CCC(n4c(Cc5ccccc5)nc5ccccc54)CC3)[nH]c2c1.Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)C(C)C)c3ccccc32)cc1.Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2cn[nH]c2)CC1.O=C(Cn1c(Cc2ccc(F)cc2)nc2ccccc21)N1CCN(c2ccccc2F)CC1.O=C(O)c1c(C[NH2+]CCCN2CCCC2=O)c2ccccc2n1Cc1ccc(F)cc1Cl
InChIInChI=1S/C30H30N4O.C28H37N3O.C26H24F2N4O.C24H25ClFN3O3.C23H24N6O.C21H30N4O2S2/c1-20-16-21(2)24-19-27(31-26(24)17-20)30(35)33-14-12-23(13-15-33)34-28-11-7-6-10-25(28)32-29(34)18-22-8-4-3-5-9-22;1-21(2)25(18-28(32)29-14-17-30-15-6-7-16-30)26-20-31(27-9-5-4-8-24(26)27)19-23-12-10-22(3)11-13-23;27-20-11-9-19(10-12-20)17-25-29-22-6-2-4-8-24(22)32(25)18-26(33)31-15-13-30(14-16-31)23-7-3-1-5-21(23)28;25-20-13-17(26)9-8-16(20)15-29-21-6-2-1-5-18(21)19(23(29)24(31)32)14-27-10-4-12-28-11-3-7-22(28)30;1-16-5-2-3-6-17(16)13-21-27-20-7-4-10-24-22(20)29(21)19-8-11-28(12-9-19)23(30)18-14-25-26-15-18;1-4-5-6-9-22-19(27)16-7-10-25(11-8-16)17(26)12-28-20-18-14(2)15(3)29-21(18)24-13-23-20/h3-11,16-17,19,23,31H,12-15,18H2,1-2H3;4-5,8-13,20-21,25H,6-7,14-19H2,1-3H3,(H,29,32);1-12H,13-18H2;1-2,5-6,8-9,13,27H,3-4,7,10-12,14-15H2,(H,31,32);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,25,26);13,16H,4-12H2,1-3H3,(H,22,27)/p+2/t;25-;;;;/m.1..../s1
InChIKeyIAILMHKKEBIXBW-SKGRCGEMSA-P
MW2635.79 g/mol
LogP25.11
Rot. Bonds39

About [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 162300950) has the molecular formula C152H172ClF3N24O9S2+2 and a molecular weight of 2635.79 g/mol. Its IUPAC name is [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID162300950
Molecular FormulaC152H172ClF3N24O9S2+2
Molecular Weight2635.79 g/mol
Exact Mass2633.28
IUPAC Name[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCCCCNC(=O)C1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1.Cc1cc(C)c2cc(C(=O)N3CCC(n4c(Cc5ccccc5)nc5ccccc54)CC3)[nH]c2c1.Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)C(C)C)c3ccccc32)cc1.Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2cn[nH]c2)CC1.O=C(Cn1c(Cc2ccc(F)cc2)nc2ccccc21)N1CCN(c2ccccc2F)CC1.O=C(O)c1c(C[NH2+]CCCN2CCCC2=O)c2ccccc2n1Cc1ccc(F)cc1Cl
InChIInChI=1S/C30H30N4O.C28H37N3O.C26H24F2N4O.C24H25ClFN3O3.C23H24N6O.C21H30N4O2S2/c1-20-16-21(2)24-19-27(31-26(24)17-20)30(35)33-14-12-23(13-15-33)34-28-11-7-6-10-25(28)32-29(34)18-22-8-4-3-5-9-22;1-21(2)25(18-28(32)29-14-17-30-15-6-7-16-30)26-20-31(27-9-5-4-8-24(26)27)19-23-12-10-22(3)11-13-23;27-20-11-9-19(10-12-20)17-25-29-22-6-2-4-8-24(22)32(25)18-26(33)31-15-13-30(14-16-31)23-7-3-1-5-21(23)28;25-20-13-17(26)9-8-16(20)15-29-21-6-2-1-5-18(21)19(23(29)24(31)32)14-27-10-4-12-28-11-3-7-22(28)30;1-16-5-2-3-6-17(16)13-21-27-20-7-4-10-24-22(20)29(21)19-8-11-28(12-9-19)23(30)18-14-25-26-15-18;1-4-5-6-9-22-19(27)16-7-10-25(11-8-16)17(26)12-28-20-18-14(2)15(3)29-21(18)24-13-23-20/h3-11,16-17,19,23,31H,12-15,18H2,1-2H3;4-5,8-13,20-21,25H,6-7,14-19H2,1-3H3,(H,29,32);1-12H,13-18H2;1-2,5-6,8-9,13,27H,3-4,7,10-12,14-15H2,(H,31,32);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,25,26);13,16H,4-12H2,1-3H3,(H,22,27)/p+2/t;25-;;;;/m.1..../s1
InChIKeyIAILMHKKEBIXBW-SKGRCGEMSA-P
XLogP25.11
TPSA367.80 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002635.79
LogP ≤ 525.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone with MolForge

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Related Compounds

1-(2-acetyl-1,3-thiazol-4-yl)-2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]ethanone;2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(1S,3R)-3-[2-(1H-imidazol-5-yl)-2-oxoethyl]cyclohexyl]amino]pyrimidine-4-carboxylic acid;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-1-(1-methylimidazol-4-yl)ethanone;1-[(2R,3R)-3-[[3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-yl]methyl]-2-bicyclo[2.2.2]octanyl]ethanone
CID 160733095
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole
CID 164093311
4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 164971106
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
CID 167677591

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 162300950) is [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is CCCCCNC(=O)C1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1.Cc1cc(C)c2cc(C(=O)N3CCC(n4c(Cc5ccccc5)nc5ccccc54)CC3)[nH]c2c1.Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)C(C)C)c3ccccc32)cc1.Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2cn[nH]c2)CC1.O=C(Cn1c(Cc2ccc(F)cc2)nc2ccccc21)N1CCN(c2ccccc2F)CC1.O=C(O)c1c(C[NH2+]CCCN2CCCC2=O)c2ccccc2n1Cc1ccc(F)cc1Cl.
What is the InChIKey of [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is IAILMHKKEBIXBW-SKGRCGEMSA-P. The full InChI is InChI=1S/C30H30N4O.C28H37N3O.C26H24F2N4O.C24H25ClFN3O3.C23H24N6O.C21H30N4O2S2/c1-20-16-21(2)24-19-27(31-26(24)17-20)30(35)33-14-12-23(13-15-33)34-28-11-7-6-10-25(28)32-29(34)18-22-8-4-3-5-9-22;1-21(2)25(18-28(32)29-14-17-30-15-6-7-16-30)26-20-31(27-9-5-4-8-24(26)27)19-23-12-10-22(3)11-13-23;27-20-11-9-19(10-12-20)17-25-29-22-6-2-4-8-24(22)32(25)18-26(33)31-15-13-30(14-16-31)23-7-3-1-5-21(23)28;25-20-13-17(26)9-8-16(20)15-29-21-6-2-1-5-18(21)19(23(29)24(31)32)14-27-10-4-12-28-11-3-7-22(28)30;1-16-5-2-3-6-17(16)13-21-27-20-7-4-10-24-22(20)29(21)19-8-11-28(12-9-19)23(30)18-14-25-26-15-18;1-4-5-6-9-22-19(27)16-7-10-25(11-8-16)17(26)12-28-20-18-14(2)15(3)29-21(18)24-13-23-20/h3-11,16-17,19,23,31H,12-15,18H2,1-2H3;4-5,8-13,20-21,25H,6-7,14-19H2,1-3H3,(H,29,32);1-12H,13-18H2;1-2,5-6,8-9,13,27H,3-4,7,10-12,14-15H2,(H,31,32);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,25,26);13,16H,4-12H2,1-3H3,(H,22,27)/p+2/t;25-;;;;/m.1..../s1.
What are the key properties of [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 2635.79 g/mol, XLogP of 25.11, 39 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 162300950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).