3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

C169H170Cl3F8N31O22 — CID 159736839

IUPAC3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESCC1(C(=O)O)CC(OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)C1.N#Cc1ccc2nc(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)[nH]c2c1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)CC2)CC1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.O=C(O)c1cc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)no1.O=C(O)c1ccc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)cc1.O=C(O)c1cccc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c1
InChIInChI=1S/C26H29N5O3.C25H28F3N5O3.C25H28F2N4O3.2C24H21ClN4O3.C24H25F3N4O3.C21H18ClN5O4/c27-15-18-3-7-22-23(13-18)30-26(29-22)19-4-8-24(28-16-19)31-11-9-21(10-12-31)34-20-5-1-17(2-6-20)14-25(32)33;26-25(27,28)17-12-20-24(30-14-17)32-23(31-20)16-3-6-21(29-13-16)33-9-7-19(8-10-33)36-18-4-1-15(2-5-18)11-22(34)35;26-19-12-21-22(13-20(19)27)30-25(29-21)16-3-6-23(28-14-16)31-9-7-18(8-10-31)34-17-4-1-15(2-5-17)11-24(32)33;25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31;25-17-5-6-20-21(13-17)28-23(27-20)16-4-7-22(26-14-16)29-10-8-18(9-11-29)32-19-3-1-2-15(12-19)24(30)31;1-23(22(32)33)11-17(12-23)34-16-6-8-31(9-7-16)20-5-2-14(13-28-20)21-29-18-4-3-15(24(25,26)27)10-19(18)30-21;22-13-2-3-15-16(9-13)25-20(24-15)12-1-4-18(23-11-12)27-7-5-14(6-8-27)30-19-10-17(21(28)29)31-26-19/h3-4,7-8,13,16-17,20-21H,1-2,5-6,9-12,14H2,(H,29,30)(H,32,33);3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,34,35)(H,30,31,32);3,6,12-15,17-18H,1-2,4-5,7-11H2,(H,29,30)(H,32,33);1-8,13-14,19H,9-12H2,(H,27,28)(H,30,31);1-7,12-14,18H,8-11H2,(H,27,28)(H,30,31);2-5,10,13,16-17H,6-9,11-12H2,1H3,(H,29,30)(H,32,33);1-4,9-11,14H,5-8H2,(H,24,25)(H,28,29)
InChIKeyNBYIOYPHNPVUMG-UHFFFAOYSA-N
MW3245.76 g/mol
LogP33.44
Rot. Bonds38

About 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (PubChem CID 159736839) has the molecular formula C169H170Cl3F8N31O22 and a molecular weight of 3245.76 g/mol. Its IUPAC name is 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
PubChem CID159736839
Molecular FormulaC169H170Cl3F8N31O22
Molecular Weight3245.76 g/mol
Exact Mass3242.21
IUPAC Name3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESCC1(C(=O)O)CC(OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)C1.N#Cc1ccc2nc(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)[nH]c2c1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)CC2)CC1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.O=C(O)c1cc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)no1.O=C(O)c1ccc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)cc1.O=C(O)c1cccc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c1
InChIInChI=1S/C26H29N5O3.C25H28F3N5O3.C25H28F2N4O3.2C24H21ClN4O3.C24H25F3N4O3.C21H18ClN5O4/c27-15-18-3-7-22-23(13-18)30-26(29-22)19-4-8-24(28-16-19)31-11-9-21(10-12-31)34-20-5-1-17(2-6-20)14-25(32)33;26-25(27,28)17-12-20-24(30-14-17)32-23(31-20)16-3-6-21(29-13-16)33-9-7-19(8-10-33)36-18-4-1-15(2-5-18)11-22(34)35;26-19-12-21-22(13-20(19)27)30-25(29-21)16-3-6-23(28-14-16)31-9-7-18(8-10-31)34-17-4-1-15(2-5-17)11-24(32)33;25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31;25-17-5-6-20-21(13-17)28-23(27-20)16-4-7-22(26-14-16)29-10-8-18(9-11-29)32-19-3-1-2-15(12-19)24(30)31;1-23(22(32)33)11-17(12-23)34-16-6-8-31(9-7-16)20-5-2-14(13-28-20)21-29-18-4-3-15(24(25,26)27)10-19(18)30-21;22-13-2-3-15-16(9-13)25-20(24-15)12-1-4-18(23-11-12)27-7-5-14(6-8-27)30-19-10-17(21(28)29)31-26-19/h3-4,7-8,13,16-17,20-21H,1-2,5-6,9-12,14H2,(H,29,30)(H,32,33);3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,34,35)(H,30,31,32);3,6,12-15,17-18H,1-2,4-5,7-11H2,(H,29,30)(H,32,33);1-8,13-14,19H,9-12H2,(H,27,28)(H,30,31);1-7,12-14,18H,8-11H2,(H,27,28)(H,30,31);2-5,10,13,16-17H,6-9,11-12H2,1H3,(H,29,30)(H,32,33);1-4,9-11,14H,5-8H2,(H,24,25)(H,28,29)
InChIKeyNBYIOYPHNPVUMG-UHFFFAOYSA-N
XLogP33.44
TPSA702.09 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003245.76
LogP ≤ 533.44
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;ethyl 4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylate;methyl 3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxybenzoate;methyl 3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate;3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoic acid
CID 158374170

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The IUPAC name of 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (CID 159736839) is 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.
What is the SMILES notation for 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The canonical SMILES for 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is CC1(C(=O)O)CC(OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)C1.N#Cc1ccc2nc(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)[nH]c2c1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)CC2)CC1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.O=C(O)c1cc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)no1.O=C(O)c1ccc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)cc1.O=C(O)c1cccc(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c1.
What is the InChIKey of 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The InChIKey is NBYIOYPHNPVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3.C25H28F3N5O3.C25H28F2N4O3.2C24H21ClN4O3.C24H25F3N4O3.C21H18ClN5O4/c27-15-18-3-7-22-23(13-18)30-26(29-22)19-4-8-24(28-16-19)31-11-9-21(10-12-31)34-20-5-1-17(2-6-20)14-25(32)33;26-25(27,28)17-12-20-24(30-14-17)32-23(31-20)16-3-6-21(29-13-16)33-9-7-19(8-10-33)36-18-4-1-15(2-5-18)11-22(34)35;26-19-12-21-22(13-20(19)27)30-25(29-21)16-3-6-23(28-14-16)31-9-7-18(8-10-31)34-17-4-1-15(2-5-17)11-24(32)33;25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31;25-17-5-6-20-21(13-17)28-23(27-20)16-4-7-22(26-14-16)29-10-8-18(9-11-29)32-19-3-1-2-15(12-19)24(30)31;1-23(22(32)33)11-17(12-23)34-16-6-8-31(9-7-16)20-5-2-14(13-28-20)21-29-18-4-3-15(24(25,26)27)10-19(18)30-21;22-13-2-3-15-16(9-13)25-20(24-15)12-1-4-18(23-11-12)27-7-5-14(6-8-27)30-19-10-17(21(28)29)31-26-19/h3-4,7-8,13,16-17,20-21H,1-2,5-6,9-12,14H2,(H,29,30)(H,32,33);3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,34,35)(H,30,31,32);3,6,12-15,17-18H,1-2,4-5,7-11H2,(H,29,30)(H,32,33);1-8,13-14,19H,9-12H2,(H,27,28)(H,30,31);1-7,12-14,18H,8-11H2,(H,27,28)(H,30,31);2-5,10,13,16-17H,6-9,11-12H2,1H3,(H,29,30)(H,32,33);1-4,9-11,14H,5-8H2,(H,24,25)(H,28,29).
What are the key properties of 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid has a molecular weight of 3245.76 g/mol, XLogP of 33.44, 38 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxybenzoic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2-oxazole-5-carboxylic acid;2-[4-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-methyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1-carboxylic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 159736839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).