(3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol

C171H198ClF18N35O18+2 — CID 161091352

About (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol

(3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol (PubChem CID 161091352) has the molecular formula C171H198ClF18N35O18+2 and a molecular weight of 3409.11 g/mol. Its IUPAC name is (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol.

Molecular Properties

• Compound Name: (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol
• PubChem CID: 161091352
• Molecular Formula: C171H198ClF18N35O18+2
• Molecular Weight: 3409.11 g/mol
• Exact Mass: 3406.50
• IUPAC Name: (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol
• SMILES: CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(C)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1C(=O)OCc1ccccc1.CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(C5CCCCC5)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1.CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(C5CCCCC5)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1C(=O)OCc1ccccc1.Cc1ccc([C@@H](O)C(F)(F)F)c(-n2cc[n+](C)c2)c1.Cc1ccc([C@@H](Oc2cc(Cl)nc(N)n2)C(F)(F)F)c(-n2cc[n+](C)c2)c1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)n1
• InChI: InChI=1S/C41H48F3N7O5.C36H40F3N7O5.C33H42F3N7O3.C31H38F3N7O3.C17H16ClF3N5O.C13H14F3N2O/c1-3-54-37(52)33-24-40(26-50(33)39(53)55-25-28-10-6-4-7-11-28)17-20-49(21-18-40)34-23-35(47-38(45)46-34)56-36(41(42,43)44)31-15-14-30(29-12-8-5-9-13-29)22-32(31)51-19-16-27(2)48-51;1-4-49-32(47)28-20-35(22-45(28)34(48)50-21-25-8-6-5-7-9-25)13-16-44(17-14-35)29-19-30(42-33(40)41-29)51-31(36(37,38)39)26-11-10-23(2)18-27(26)46-15-12-24(3)43-46;1-3-45-30(44)25-19-32(20-38-25)12-15-42(16-13-32)27-18-28(40-31(37)39-27)46-29(33(34,35)36)24-10-9-23(22-7-5-4-6-8-22)17-26(24)43-14-11-21(2)41-43;1-19-9-12-41(39-19)24-15-21(20-5-3-2-4-6-20)7-8-22(24)27(31(32,33)34)44-26-16-25(37-29(35)38-26)40-13-10-30(11-14-40)17-23(28(42)43)36-18-30;1-10-3-4-11(12(7-10)26-6-5-25(2)9-26)15(17(19,20)21)27-14-8-13(18)23-16(22)24-14;1-9-3-4-10(12(19)13(14,15)16)11(7-9)18-6-5-17(2)8-18/h4,6-7,10-11,14-16,19,22-23,29,33,36H,3,5,8-9,12-13,17-18,20-21,24-26H2,1-2H3,(H2,45,46,47);5-12,15,18-19,28,31H,4,13-14,16-17,20-22H2,1-3H3,(H2,40,41,42);9-11,14,17-18,22,25,29,38H,3-8,12-13,15-16,19-20H2,1-2H3,(H2,37,39,40);7-9,12,15-16,20,23,27,36H,2-6,10-11,13-14,17-18H2,1H3,(H,42,43)(H2,35,37,38);3-9,15H,1-2H3,(H2,22,23,24);3-8,12,19H,1-2H3/q;;;;2*+1/t33-,36+;28-,31+;25-,29+;23-,27+;15-;12-/m000011/s1
• InChIKey: OQLYYPFAMDIRPE-OAFUMENCSA-N
• XLogP: 30.58
• TPSA: 626.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 40
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3409.11
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol?

The IUPAC name of (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol (CID 161091352) is (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol.

What is the SMILES notation for (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol?

The canonical SMILES for (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol is CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(C)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1C(=O)OCc1ccccc1.CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(C5CCCCC5)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1.CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(C5CCCCC5)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1C(=O)OCc1ccccc1.Cc1ccc([C@@H](O)C(F)(F)F)c(-n2cc[n+](C)c2)c1.Cc1ccc([C@@H](Oc2cc(Cl)nc(N)n2)C(F)(F)F)c(-n2cc[n+](C)c2)c1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)n1.

What is the InChIKey of (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol?

The InChIKey is OQLYYPFAMDIRPE-OAFUMENCSA-N. The full InChI is InChI=1S/C41H48F3N7O5.C36H40F3N7O5.C33H42F3N7O3.C31H38F3N7O3.C17H16ClF3N5O.C13H14F3N2O/c1-3-54-37(52)33-24-40(26-50(33)39(53)55-25-28-10-6-4-7-11-28)17-20-49(21-18-40)34-23-35(47-38(45)46-34)56-36(41(42,43)44)31-15-14-30(29-12-8-5-9-13-29)22-32(31)51-19-16-27(2)48-51;1-4-49-32(47)28-20-35(22-45(28)34(48)50-21-25-8-6-5-7-9-25)13-16-44(17-14-35)29-19-30(42-33(40)41-29)51-31(36(37,38)39)26-11-10-23(2)18-27(26)46-15-12-24(3)43-46;1-3-45-30(44)25-19-32(20-38-25)12-15-42(16-13-32)27-18-28(40-31(37)39-27)46-29(33(34,35)36)24-10-9-23(22-7-5-4-6-8-22)17-26(24)43-14-11-21(2)41-43;1-19-9-12-41(39-19)24-15-21(20-5-3-2-4-6-20)7-8-22(24)27(31(32,33)34)44-26-16-25(37-29(35)38-26)40-13-10-30(11-14-40)17-23(28(42)43)36-18-30;1-10-3-4-11(12(7-10)26-6-5-25(2)9-26)15(17(19,20)21)27-14-8-13(18)23-16(22)24-14;1-9-3-4-10(12(19)13(14,15)16)11(7-9)18-6-5-17(2)8-18/h4,6-7,10-11,14-16,19,22-23,29,33,36H,3,5,8-9,12-13,17-18,20-21,24-26H2,1-2H3,(H2,45,46,47);5-12,15,18-19,28,31H,4,13-14,16-17,20-22H2,1-3H3,(H2,40,41,42);9-11,14,17-18,22,25,29,38H,3-8,12-13,15-16,19-20H2,1-2H3,(H2,37,39,40);7-9,12,15-16,20,23,27,36H,2-6,10-11,13-14,17-18H2,1H3,(H,42,43)(H2,35,37,38);3-9,15H,1-2H3,(H2,22,23,24);3-8,12,19H,1-2H3/q;;;;2*+1/t33-,36+;28-,31+;25-,29+;23-,27+;15-;12-/m000011/s1.

What are the key properties of (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol?

(3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol has a molecular weight of 3409.11 g/mol, XLogP of 30.58, 40 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethoxy]pyrimidin-2-amine;ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate;(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylimidazol-3-ium-1-yl)phenyl]ethanol is sourced from PubChem (CID 161091352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).