4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid

C172H197Cl3F8N32O21 — CID 159713268

IUPAC4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5nc(Cl)c(Cl)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)CC2)CC1.Cc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(C)(C(=O)O)CC5)CC4)nc3)nc2n1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CCC1
InChIInChI=1S/C25H28F3N5O3.C25H28F2N4O3.C25H31N5O3.C25H30N4O3.C24H27Cl2N5O3.C24H28ClN5O3.C24H25F3N4O3/c1-24(23(34)35)8-4-17(5-9-24)36-18-6-10-33(11-7-18)20-3-2-15(13-29-20)21-31-19-12-16(25(26,27)28)14-30-22(19)32-21;1-25(24(32)33)8-4-16(5-9-25)34-17-6-10-31(11-7-17)22-3-2-15(14-28-22)23-29-20-12-18(26)19(27)13-21(20)30-23;1-16-3-5-20-23(27-16)29-22(28-20)17-4-6-21(26-15-17)30-13-9-19(10-14-30)33-18-7-11-25(2,12-8-18)24(31)32;1-25(24(30)31)12-8-18(9-13-25)32-19-10-14-29(15-11-19)22-7-6-17(16-26-22)23-27-20-4-2-3-5-21(20)28-23;1-24(23(32)33)8-4-15(5-9-24)34-16-6-10-31(11-7-16)19-3-2-14(13-27-19)21-28-18-12-17(25)20(26)29-22(18)30-21;1-24(23(31)32)8-4-17(5-9-24)33-18-6-10-30(11-7-18)20-3-2-15(13-26-20)21-28-19-12-16(25)14-27-22(19)29-21;25-24(26,27)16-3-4-18-19(12-16)30-21(29-18)15-2-5-20(28-13-15)31-10-6-17(7-11-31)34-14-23(22(32)33)8-1-9-23/h2-3,12-14,17-18H,4-11H2,1H3,(H,34,35)(H,30,31,32);2-3,12-14,16-17H,4-11H2,1H3,(H,29,30)(H,32,33);3-6,15,18-19H,7-14H2,1-2H3,(H,31,32)(H,27,28,29);2-7,16,18-19H,8-15H2,1H3,(H,27,28)(H,30,31);2-3,12-13,15-16H,4-11H2,1H3,(H,32,33)(H,28,29,30);2-3,12-14,17-18H,4-11H2,1H3,(H,31,32)(H,27,28,29);2-5,12-13,17H,1,6-11,14H2,(H,29,30)(H,32,33)
InChIKeyMZCMFINSQZOOIU-UHFFFAOYSA-N
MW3307.01 g/mol
LogP33.89
Rot. Bonds36

About 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid

4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 159713268) has the molecular formula C172H197Cl3F8N32O21 and a molecular weight of 3307.01 g/mol. Its IUPAC name is 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID159713268
Molecular FormulaC172H197Cl3F8N32O21
Molecular Weight3307.01 g/mol
Exact Mass3303.43
IUPAC Name4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5nc(Cl)c(Cl)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)CC2)CC1.Cc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(C)(C(=O)O)CC5)CC4)nc3)nc2n1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CCC1
InChIInChI=1S/C25H28F3N5O3.C25H28F2N4O3.C25H31N5O3.C25H30N4O3.C24H27Cl2N5O3.C24H28ClN5O3.C24H25F3N4O3/c1-24(23(34)35)8-4-17(5-9-24)36-18-6-10-33(11-7-18)20-3-2-15(13-29-20)21-31-19-12-16(25(26,27)28)14-30-22(19)32-21;1-25(24(32)33)8-4-16(5-9-25)34-17-6-10-31(11-7-17)22-3-2-15(14-28-22)23-29-20-12-18(26)19(27)13-21(20)30-23;1-16-3-5-20-23(27-16)29-22(28-20)17-4-6-21(26-15-17)30-13-9-19(10-14-30)33-18-7-11-25(2,12-8-18)24(31)32;1-25(24(30)31)12-8-18(9-13-25)32-19-10-14-29(15-11-19)22-7-6-17(16-26-22)23-27-20-4-2-3-5-21(20)28-23;1-24(23(32)33)8-4-15(5-9-24)34-16-6-10-31(11-7-16)19-3-2-14(13-27-19)21-28-18-12-17(25)20(26)29-22(18)30-21;1-24(23(31)32)8-4-17(5-9-24)33-18-6-10-30(11-7-18)20-3-2-15(13-26-20)21-28-19-12-16(25)14-27-22(19)29-21;25-24(26,27)16-3-4-18-19(12-16)30-21(29-18)15-2-5-20(28-13-15)31-10-6-17(7-11-31)34-14-23(22(32)33)8-1-9-23/h2-3,12-14,17-18H,4-11H2,1H3,(H,34,35)(H,30,31,32);2-3,12-14,16-17H,4-11H2,1H3,(H,29,30)(H,32,33);3-6,15,18-19H,7-14H2,1-2H3,(H,31,32)(H,27,28,29);2-7,16,18-19H,8-15H2,1H3,(H,27,28)(H,30,31);2-3,12-13,15-16H,4-11H2,1H3,(H,32,33)(H,28,29,30);2-3,12-14,17-18H,4-11H2,1H3,(H,31,32)(H,27,28,29);2-5,12-13,17H,1,6-11,14H2,(H,29,30)(H,32,33)
InChIKeyMZCMFINSQZOOIU-UHFFFAOYSA-N
XLogP33.89
TPSA690.94 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003307.01
LogP ≤ 533.89
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
CID 159807199
1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
CID 160375240
2,2-dimethyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypropanoic acid;ethyl 4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylate;4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;methyl 3-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoate;methyl 3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoate;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
CID 161546815
4-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]oxane-4-carboxylic acid;4-[[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]oxane-4-carboxylic acid;3-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;3-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;3-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxypropanoic acid;2-[3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutyl]acetic acid;2-[3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutyl]acetic acid
CID 161719757

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid (CID 159713268) is 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid is CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5nc(Cl)c(Cl)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)CC2)CC1.Cc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(C)(C(=O)O)CC5)CC4)nc3)nc2n1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CCC1.
What is the InChIKey of 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is MZCMFINSQZOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3.C25H28F2N4O3.C25H31N5O3.C25H30N4O3.C24H27Cl2N5O3.C24H28ClN5O3.C24H25F3N4O3/c1-24(23(34)35)8-4-17(5-9-24)36-18-6-10-33(11-7-18)20-3-2-15(13-29-20)21-31-19-12-16(25(26,27)28)14-30-22(19)32-21;1-25(24(32)33)8-4-16(5-9-25)34-17-6-10-31(11-7-17)22-3-2-15(14-28-22)23-29-20-12-18(26)19(27)13-21(20)30-23;1-16-3-5-20-23(27-16)29-22(28-20)17-4-6-21(26-15-17)30-13-9-19(10-14-30)33-18-7-11-25(2,12-8-18)24(31)32;1-25(24(30)31)12-8-18(9-13-25)32-19-10-14-29(15-11-19)22-7-6-17(16-26-22)23-27-20-4-2-3-5-21(20)28-23;1-24(23(32)33)8-4-15(5-9-24)34-16-6-10-31(11-7-16)19-3-2-14(13-27-19)21-28-18-12-17(25)20(26)29-22(18)30-21;1-24(23(31)32)8-4-17(5-9-24)33-18-6-10-30(11-7-18)20-3-2-15(13-26-20)21-28-19-12-16(25)14-27-22(19)29-21;25-24(26,27)16-3-4-18-19(12-16)30-21(29-18)15-2-5-20(28-13-15)31-10-6-17(7-11-31)34-14-23(22(32)33)8-1-9-23/h2-3,12-14,17-18H,4-11H2,1H3,(H,34,35)(H,30,31,32);2-3,12-14,16-17H,4-11H2,1H3,(H,29,30)(H,32,33);3-6,15,18-19H,7-14H2,1-2H3,(H,31,32)(H,27,28,29);2-7,16,18-19H,8-15H2,1H3,(H,27,28)(H,30,31);2-3,12-13,15-16H,4-11H2,1H3,(H,32,33)(H,28,29,30);2-3,12-14,17-18H,4-11H2,1H3,(H,31,32)(H,27,28,29);2-5,12-13,17H,1,6-11,14H2,(H,29,30)(H,32,33).
What are the key properties of 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid?
4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 3307.01 g/mol, XLogP of 33.89, 36 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 159713268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).