2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid

C164H207Cl2F5N14O24 — CID 158167800

IUPAC2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid
SMILESCCc1c(OC)ccc(F)c1N1CCC(Oc2ccc(N3C[C@H](C)C[C@@H]3CC(=O)O)cc2)CC1.CCc1cc(F)c(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)cc1OC.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)C(C)C2)c(Cl)cn1.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)C(F)C2)c(Cl)cn1.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)c(F)cc1CC(C)C.COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)c1Cc1ccccc1
InChIInChI=1S/C32H37FN2O4.C29H39FN2O4.2C27H35FN2O4.C25H32ClN3O4.C24H29ClFN3O4/c1-22-18-25(20-31(36)37)35(21-22)24-8-10-26(11-9-24)39-27-14-16-34(17-15-27)32-28(19-23-6-4-3-5-7-23)30(38-2)13-12-29(32)33;1-19(2)13-21-15-26(30)27(17-28(21)35-4)31-11-9-25(10-12-31)36-24-7-5-22(6-8-24)32-18-20(3)14-23(32)16-29(33)34;1-4-19-14-24(28)25(16-26(19)33-3)29-11-9-23(10-12-29)34-22-7-5-20(6-8-22)30-17-18(2)13-21(30)15-27(31)32;1-4-23-25(33-3)10-9-24(28)27(23)29-13-11-22(12-14-29)34-21-7-5-19(6-8-21)30-17-18(2)15-20(30)16-26(31)32;1-16-10-19(11-25(30)31)29(14-16)18-4-6-20(7-5-18)33-23-8-9-28(15-17(23)2)22-12-24(32-3)27-13-21(22)26;1-15-9-17(10-24(30)31)29(13-15)16-3-5-18(6-4-16)33-22-7-8-28(14-20(22)26)21-11-23(32-2)27-12-19(21)25/h3-13,22,25,27H,14-21H2,1-2H3,(H,36,37);5-8,15,17,19-20,23,25H,9-14,16,18H2,1-4H3,(H,33,34);5-8,14,16,18,21,23H,4,9-13,15,17H2,1-3H3,(H,31,32);5-10,18,20,22H,4,11-17H2,1-3H3,(H,31,32);4-7,12-13,16-17,19,23H,8-11,14-15H2,1-3H3,(H,30,31);3-6,11-12,15,17,20,22H,7-10,13-14H2,1-2H3,(H,30,31)/t22-,25-;20-,23-;18-,21-;18-,20-;16-,17?,19-,23?;15-,17-,20?,22?/m111111/s1
InChIKeyFXBFTKVJSWAEFE-CVWSBOKOSA-N
MW2924.43 g/mol
LogP31.36
Rot. Bonds48

About 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid

2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid (PubChem CID 158167800) has the molecular formula C164H207Cl2F5N14O24 and a molecular weight of 2924.43 g/mol. Its IUPAC name is 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid
PubChem CID158167800
Molecular FormulaC164H207Cl2F5N14O24
Molecular Weight2924.43 g/mol
Exact Mass2921.47
IUPAC Name2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid
SMILESCCc1c(OC)ccc(F)c1N1CCC(Oc2ccc(N3C[C@H](C)C[C@@H]3CC(=O)O)cc2)CC1.CCc1cc(F)c(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)cc1OC.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)C(C)C2)c(Cl)cn1.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)C(F)C2)c(Cl)cn1.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)c(F)cc1CC(C)C.COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)c1Cc1ccccc1
InChIInChI=1S/C32H37FN2O4.C29H39FN2O4.2C27H35FN2O4.C25H32ClN3O4.C24H29ClFN3O4/c1-22-18-25(20-31(36)37)35(21-22)24-8-10-26(11-9-24)39-27-14-16-34(17-15-27)32-28(19-23-6-4-3-5-7-23)30(38-2)13-12-29(32)33;1-19(2)13-21-15-26(30)27(17-28(21)35-4)31-11-9-25(10-12-31)36-24-7-5-22(6-8-24)32-18-20(3)14-23(32)16-29(33)34;1-4-19-14-24(28)25(16-26(19)33-3)29-11-9-23(10-12-29)34-22-7-5-20(6-8-22)30-17-18(2)13-21(30)15-27(31)32;1-4-23-25(33-3)10-9-24(28)27(23)29-13-11-22(12-14-29)34-21-7-5-19(6-8-21)30-17-18(2)15-20(30)16-26(31)32;1-16-10-19(11-25(30)31)29(14-16)18-4-6-20(7-5-18)33-23-8-9-28(15-17(23)2)22-12-24(32-3)27-13-21(22)26;1-15-9-17(10-24(30)31)29(13-15)16-3-5-18(6-4-16)33-22-7-8-28(14-20(22)26)21-11-23(32-2)27-12-19(21)25/h3-13,22,25,27H,14-21H2,1-2H3,(H,36,37);5-8,15,17,19-20,23,25H,9-14,16,18H2,1-4H3,(H,33,34);5-8,14,16,18,21,23H,4,9-13,15,17H2,1-3H3,(H,31,32);5-10,18,20,22H,4,11-17H2,1-3H3,(H,31,32);4-7,12-13,16-17,19,23H,8-11,14-15H2,1-3H3,(H,30,31);3-6,11-12,15,17,20,22H,7-10,13-14H2,1-2H3,(H,30,31)/t22-,25-;20-,23-;18-,21-;18-,20-;16-,17?,19-,23?;15-,17-,20?,22?/m111111/s1
InChIKeyFXBFTKVJSWAEFE-CVWSBOKOSA-N
XLogP31.36
TPSA399.22 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002924.43
LogP ≤ 531.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid (CID 158167800) is 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid is CCc1c(OC)ccc(F)c1N1CCC(Oc2ccc(N3C[C@H](C)C[C@@H]3CC(=O)O)cc2)CC1.CCc1cc(F)c(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)cc1OC.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)C(C)C2)c(Cl)cn1.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)C(F)C2)c(Cl)cn1.COc1cc(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)c(F)cc1CC(C)C.COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C)C[C@@H]4CC(=O)O)cc3)CC2)c1Cc1ccccc1.
What is the InChIKey of 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid?
The InChIKey is FXBFTKVJSWAEFE-CVWSBOKOSA-N. The full InChI is InChI=1S/C32H37FN2O4.C29H39FN2O4.2C27H35FN2O4.C25H32ClN3O4.C24H29ClFN3O4/c1-22-18-25(20-31(36)37)35(21-22)24-8-10-26(11-9-24)39-27-14-16-34(17-15-27)32-28(19-23-6-4-3-5-7-23)30(38-2)13-12-29(32)33;1-19(2)13-21-15-26(30)27(17-28(21)35-4)31-11-9-25(10-12-31)36-24-7-5-22(6-8-24)32-18-20(3)14-23(32)16-29(33)34;1-4-19-14-24(28)25(16-26(19)33-3)29-11-9-23(10-12-29)34-22-7-5-20(6-8-22)30-17-18(2)13-21(30)15-27(31)32;1-4-23-25(33-3)10-9-24(28)27(23)29-13-11-22(12-14-29)34-21-7-5-19(6-8-21)30-17-18(2)15-20(30)16-26(31)32;1-16-10-19(11-25(30)31)29(14-16)18-4-6-20(7-5-18)33-23-8-9-28(15-17(23)2)22-12-24(32-3)27-13-21(22)26;1-15-9-17(10-24(30)31)29(13-15)16-3-5-18(6-4-16)33-22-7-8-28(14-20(22)26)21-11-23(32-2)27-12-19(21)25/h3-13,22,25,27H,14-21H2,1-2H3,(H,36,37);5-8,15,17,19-20,23,25H,9-14,16,18H2,1-4H3,(H,33,34);5-8,14,16,18,21,23H,4,9-13,15,17H2,1-3H3,(H,31,32);5-10,18,20,22H,4,11-17H2,1-3H3,(H,31,32);4-7,12-13,16-17,19,23H,8-11,14-15H2,1-3H3,(H,30,31);3-6,11-12,15,17,20,22H,7-10,13-14H2,1-2H3,(H,30,31)/t22-,25-;20-,23-;18-,21-;18-,20-;16-,17?,19-,23?;15-,17-,20?,22?/m111111/s1.
What are the key properties of 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid?
2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid has a molecular weight of 2924.43 g/mol, XLogP of 31.36, 48 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-fluoropiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(2-ethyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-(4-ethyl-2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[1-[2-fluoro-5-methoxy-4-(2-methylpropyl)phenyl]piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 158167800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).