(2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid

C176H197Cl5F20N14O26 — CID 158025173

About (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid

(2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid (PubChem CID 158025173) has the molecular formula C176H197Cl5F20N14O26 and a molecular weight of 3481.81 g/mol. Its IUPAC name is (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid
• PubChem CID: 158025173
• Molecular Formula: C176H197Cl5F20N14O26
• Molecular Weight: 3481.81 g/mol
• Exact Mass: 3477.26
• IUPAC Name: (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid
• SMILES: CC(C)Oc1ncc(CN2CCC(F)(COc3cc(F)c(C(=O)N4C[C@H](F)C[C@H]4C(=O)O)cc3C3CC3)CC2)cc1Cl.Cc1ccc(Cl)c(CN2CCC(F)(COc3cc(F)c(C(=O)N4C[C@H](F)C[C@H]4C(=O)O)cc3C3CC3)CC2)c1.Cc1ccc(NC(C)C)c(CN2CCC(COc3cc(F)c(C(=O)N4C[C@H](F)C[C@H]4C(=O)O)cc3C3CC3)CC2)c1.O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)c(Cl)cc3Cl)CC2)cc1F.O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(OC(F)(F)F)c3)CC2)cc1F.O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1F
• InChI: InChI=1S/C32H41F2N3O4.C30H35ClF3N3O5.C29H32ClF3N2O4.C29H30F6N2O5.C28H29Cl2F3N2O4.C28H30ClF3N2O4/c1-19(2)35-28-7-4-20(3)12-23(28)16-36-10-8-21(9-11-36)18-41-30-15-27(34)26(14-25(30)22-5-6-22)31(38)37-17-24(33)13-29(37)32(39)40;1-17(2)42-27-23(31)9-18(13-35-27)14-36-7-5-30(34,6-8-36)16-41-26-12-24(33)22(11-21(26)19-3-4-19)28(38)37-15-20(32)10-25(37)29(39)40;1-17-2-5-23(30)19(10-17)14-34-8-6-29(33,7-9-34)16-39-26-13-24(32)22(12-21(26)18-3-4-18)27(36)35-15-20(31)11-25(35)28(37)38;30-19-7-17(8-21(9-19)42-29(33,34)35)13-36-5-3-16(4-6-36)15-41-26-12-24(32)23(11-22(26)18-1-2-18)27(38)37-14-20(31)10-25(37)28(39)40;29-21-10-22(30)24(33)7-17(21)12-34-5-3-15(4-6-34)14-39-26-11-23(32)20(9-19(26)16-1-2-16)27(36)35-13-18(31)8-25(35)28(37)38;29-22-4-1-17(9-24(22)32)13-33-7-5-16(6-8-33)15-38-26-12-23(31)21(11-20(26)18-2-3-18)27(35)34-14-19(30)10-25(34)28(36)37/h4,7,12,14-15,19,21-22,24,29,35H,5-6,8-11,13,16-18H2,1-3H3,(H,39,40);9,11-13,17,19-20,25H,3-8,10,14-16H2,1-2H3,(H,39,40);2,5,10,12-13,18,20,25H,3-4,6-9,11,14-16H2,1H3,(H,37,38);7-9,11-12,16,18,20,25H,1-6,10,13-15H2,(H,39,40);7,9-11,15-16,18,25H,1-6,8,12-14H2,(H,37,38);1,4,9,11-12,16,18-19,25H,2-3,5-8,10,13-15H2,(H,36,37)/t24-,29+;3*20-,25+;18-,25+;19-,25+/m111111/s1
• InChIKey: FGNGCLWFVVRVCQ-NQNXCUJLSA-N
• XLogP: 34.17
• TPSA: 463.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 53
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3481.81
LogP ≤ 5	34.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid?

The IUPAC name of (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid (CID 158025173) is (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid is CC(C)Oc1ncc(CN2CCC(F)(COc3cc(F)c(C(=O)N4C[C@H](F)C[C@H]4C(=O)O)cc3C3CC3)CC2)cc1Cl.Cc1ccc(Cl)c(CN2CCC(F)(COc3cc(F)c(C(=O)N4C[C@H](F)C[C@H]4C(=O)O)cc3C3CC3)CC2)c1.Cc1ccc(NC(C)C)c(CN2CCC(COc3cc(F)c(C(=O)N4C[C@H](F)C[C@H]4C(=O)O)cc3C3CC3)CC2)c1.O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)c(Cl)cc3Cl)CC2)cc1F.O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(OC(F)(F)F)c3)CC2)cc1F.O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1F.

What is the InChIKey of (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid?

The InChIKey is FGNGCLWFVVRVCQ-NQNXCUJLSA-N. The full InChI is InChI=1S/C32H41F2N3O4.C30H35ClF3N3O5.C29H32ClF3N2O4.C29H30F6N2O5.C28H29Cl2F3N2O4.C28H30ClF3N2O4/c1-19(2)35-28-7-4-20(3)12-23(28)16-36-10-8-21(9-11-36)18-41-30-15-27(34)26(14-25(30)22-5-6-22)31(38)37-17-24(33)13-29(37)32(39)40;1-17(2)42-27-23(31)9-18(13-35-27)14-36-7-5-30(34,6-8-36)16-41-26-12-24(33)22(11-21(26)19-3-4-19)28(38)37-15-20(32)10-25(37)29(39)40;1-17-2-5-23(30)19(10-17)14-34-8-6-29(33,7-9-34)16-39-26-13-24(32)22(12-21(26)18-3-4-18)27(36)35-15-20(31)11-25(35)28(37)38;30-19-7-17(8-21(9-19)42-29(33,34)35)13-36-5-3-16(4-6-36)15-41-26-12-24(32)23(11-22(26)18-1-2-18)27(38)37-14-20(31)10-25(37)28(39)40;29-21-10-22(30)24(33)7-17(21)12-34-5-3-15(4-6-34)14-39-26-11-23(32)20(9-19(26)16-1-2-16)27(36)35-13-18(31)8-25(35)28(37)38;29-22-4-1-17(9-24(22)32)13-33-7-5-16(6-8-33)15-38-26-12-23(31)21(11-20(26)18-2-3-18)27(35)34-14-19(30)10-25(34)28(36)37/h4,7,12,14-15,19,21-22,24,29,35H,5-6,8-11,13,16-18H2,1-3H3,(H,39,40);9,11-13,17,19-20,25H,3-8,10,14-16H2,1-2H3,(H,39,40);2,5,10,12-13,18,20,25H,3-4,6-9,11,14-16H2,1H3,(H,37,38);7-9,11-12,16,18,20,25H,1-6,10,13-15H2,(H,39,40);7,9-11,15-16,18,25H,1-6,8,12-14H2,(H,37,38);1,4,9,11-12,16,18-19,25H,2-3,5-8,10,13-15H2,(H,36,37)/t24-,29+;3*20-,25+;18-,25+;19-,25+/m111111/s1.

What are the key properties of (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid?

(2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid has a molecular weight of 3481.81 g/mol, XLogP of 34.17, 53 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(2-chloro-5-methylphenyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-[[1-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-2-fluoro-4-[[1-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]piperidin-4-yl]methoxy]benzoyl]-4-fluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158025173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).