butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide

C122H105ClF5N33O15 — CID 162029389

IUPACbutyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
SMILESCCCCOC(=O)Cc1cccc(COc2nc3ccc(F)cc3n2-c2nnnn2C)n1.Cc1ccc(OCC(=O)Nc2cccc(COc3nc4ccccc4n3-c3nnnn3C)n2)cc1.Cc1cccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ncccc21.Cn1nnnc1-n1c(OCc2cccc(CC(=O)COc3ccccc3)n2)nc2ccc(F)cc21.O=C(Nc1cccc(COc2cc3ccccc3n2-c2ncncc2Cl)n1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C27H23FN6O3.C26H18ClF2N5O3.C24H20FN7O3.C24H22N8O3.C21H22FN7O3/c1-18-9-7-16-30-24(18)34-21-13-8-15-29-23(21)33-26(34)36-17-19-10-6-14-22(31-19)32-25(35)27(2,28)37-20-11-4-3-5-12-20;27-20-14-30-16-31-24(20)34-21-11-5-4-7-17(21)13-23(34)36-15-18-8-6-12-22(32-18)33-25(35)26(28,29)37-19-9-2-1-3-10-19;1-31-23(28-29-30-31)32-22-12-16(25)10-11-21(22)27-24(32)35-14-18-7-5-6-17(26-18)13-19(33)15-34-20-8-3-2-4-9-20;1-16-10-12-18(13-11-16)34-15-22(33)27-21-9-5-6-17(25-21)14-35-24-26-19-7-3-4-8-20(19)32(24)23-28-29-30-31(23)2;1-3-4-10-31-19(30)12-15-6-5-7-16(23-15)13-32-21-24-17-9-8-14(22)11-18(17)29(21)20-25-26-27-28(20)2/h3-16H,17H2,1-2H3,(H,31,32,35);1-14,16H,15H2,(H,32,33,35);2-12H,13-15H2,1H3;3-13H,14-15H2,1-2H3,(H,25,27,33);5-9,11H,3-4,10,12-13H2,1-2H3
InChIKeyYVUWLPMSNXTHAU-UHFFFAOYSA-N
MW2403.84 g/mol
LogP18.71
Rot. Bonds42

About butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide

butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide (PubChem CID 162029389) has the molecular formula C122H105ClF5N33O15 and a molecular weight of 2403.84 g/mol. Its IUPAC name is butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Namebutyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
PubChem CID162029389
Molecular FormulaC122H105ClF5N33O15
Molecular Weight2403.84 g/mol
Exact Mass2401.81
IUPAC Namebutyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
SMILESCCCCOC(=O)Cc1cccc(COc2nc3ccc(F)cc3n2-c2nnnn2C)n1.Cc1ccc(OCC(=O)Nc2cccc(COc3nc4ccccc4n3-c3nnnn3C)n2)cc1.Cc1cccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ncccc21.Cn1nnnc1-n1c(OCc2cccc(CC(=O)COc3ccccc3)n2)nc2ccc(F)cc21.O=C(Nc1cccc(COc2cc3ccccc3n2-c2ncncc2Cl)n1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C27H23FN6O3.C26H18ClF2N5O3.C24H20FN7O3.C24H22N8O3.C21H22FN7O3/c1-18-9-7-16-30-24(18)34-21-13-8-15-29-23(21)33-26(34)36-17-19-10-6-14-22(31-19)32-25(35)27(2,28)37-20-11-4-3-5-12-20;27-20-14-30-16-31-24(20)34-21-11-5-4-7-17(21)13-23(34)36-15-18-8-6-12-22(32-18)33-25(35)26(28,29)37-19-9-2-1-3-10-19;1-31-23(28-29-30-31)32-22-12-16(25)10-11-21(22)27-24(32)35-14-18-7-5-6-17(26-18)13-19(33)15-34-20-8-3-2-4-9-20;1-16-10-12-18(13-11-16)34-15-22(33)27-21-9-5-6-17(25-21)14-35-24-26-19-7-3-4-8-20(19)32(24)23-28-29-30-31(23)2;1-3-4-10-31-19(30)12-15-6-5-7-16(23-15)13-32-21-24-17-9-8-14(22)11-18(17)29(21)20-25-26-27-28(20)2/h3-16H,17H2,1-2H3,(H,31,32,35);1-14,16H,15H2,(H,32,33,35);2-12H,13-15H2,1H3;3-13H,14-15H2,1-2H3,(H,25,27,33);5-9,11H,3-4,10,12-13H2,1-2H3
InChIKeyYVUWLPMSNXTHAU-UHFFFAOYSA-N
XLogP18.71
TPSA536.76 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002403.84
LogP ≤ 518.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157988270
6-[[1-(5-Chloropyrimidin-4-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine;1-(5-chloropyrimidin-4-yl)-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methoxy]benzimidazole;2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(4-methoxy-3-methyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(4-methyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]benzimidazole
CID 160050793
CID 160978423
CID 160978423
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide
CID 161126038
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetamide;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;2-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)acetamide
CID 167558731
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetamide;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;1-N'-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;2-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)acetamide
CID 167667485
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetamide;2-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;3-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide;N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)acetamide
CID 167671930
tert-butyl 2-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;tert-butyl 2-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;tert-butyl 2-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;2-fluoro-N-[6-[[5-isocyano-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[6-isocyano-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide
CID 157609937
2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;N,N-diethyl-2-[2-[4-(2-(18F)fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157807120
2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157807121
2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(4-ethyl-2-pyridinyl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole;2-fluoro-N-[6-[[6-iodo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-methylpropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-[[6-(1-methoxyethenyl)-2-pyridinyl]methylsulfanyl]-1-(3-methyl-2-pyridinyl)benzimidazole;1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole
CID 159368030
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159565908

Frequently Asked Questions

What is the IUPAC name of butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
The IUPAC name of butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide (CID 162029389) is butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
The canonical SMILES for butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide is CCCCOC(=O)Cc1cccc(COc2nc3ccc(F)cc3n2-c2nnnn2C)n1.Cc1ccc(OCC(=O)Nc2cccc(COc3nc4ccccc4n3-c3nnnn3C)n2)cc1.Cc1cccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ncccc21.Cn1nnnc1-n1c(OCc2cccc(CC(=O)COc3ccccc3)n2)nc2ccc(F)cc21.O=C(Nc1cccc(COc2cc3ccccc3n2-c2ncncc2Cl)n1)C(F)(F)Oc1ccccc1.
What is the InChIKey of butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
The InChIKey is YVUWLPMSNXTHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O3.C26H18ClF2N5O3.C24H20FN7O3.C24H22N8O3.C21H22FN7O3/c1-18-9-7-16-30-24(18)34-21-13-8-15-29-23(21)33-26(34)36-17-19-10-6-14-22(31-19)32-25(35)27(2,28)37-20-11-4-3-5-12-20;27-20-14-30-16-31-24(20)34-21-11-5-4-7-17(21)13-23(34)36-15-18-8-6-12-22(32-18)33-25(35)26(28,29)37-19-9-2-1-3-10-19;1-31-23(28-29-30-31)32-22-12-16(25)10-11-21(22)27-24(32)35-14-18-7-5-6-17(26-18)13-19(33)15-34-20-8-3-2-4-9-20;1-16-10-12-18(13-11-16)34-15-22(33)27-21-9-5-6-17(25-21)14-35-24-26-19-7-3-4-8-20(19)32(24)23-28-29-30-31(23)2;1-3-4-10-31-19(30)12-15-6-5-7-16(23-15)13-32-21-24-17-9-8-14(22)11-18(17)29(21)20-25-26-27-28(20)2/h3-16H,17H2,1-2H3,(H,31,32,35);1-14,16H,15H2,(H,32,33,35);2-12H,13-15H2,1H3;3-13H,14-15H2,1-2H3,(H,25,27,33);5-9,11H,3-4,10,12-13H2,1-2H3.
What are the key properties of butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide has a molecular weight of 2403.84 g/mol, XLogP of 18.71, 42 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162029389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).