(2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

C176H219Cl4F7N32O21 — CID 159804821

About (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

(2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (PubChem CID 159804821) has the molecular formula C176H219Cl4F7N32O21 and a molecular weight of 3393.69 g/mol. Its IUPAC name is (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
• PubChem CID: 159804821
• Molecular Formula: C176H219Cl4F7N32O21
• Molecular Weight: 3393.69 g/mol
• Exact Mass: 3389.57
• IUPAC Name: (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
• SMILES: CCC[C@@H](O)COc1ccc(C(F)(F)F)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC(N)=C(/C=N/C(C)C)C3)n2)c1.CCC[C@@H](O)COc1ccc(C(F)(F)F)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cnn(C(C)C)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)c(C)nn3C)c(C)c(N3CC4(CC(OC)C4)C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(-n3cc4c(n3)CN(C(=O)OC)C4)n2)c1.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CC(F)C3)C2)c1C.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CN(C(=O)OCCOC)C3)C2)c1C
• InChI: InChI=1S/C31H42ClN5O5.C30H35F3N6O3.C30H37F3N6O3.C29H38ClN5O3.C28H36ClFN4O2.C28H31ClN6O5/c1-7-8-22(38)14-42-23-9-10-25(32)24(13-23)28-34-27(26(19(2)3)21(5)33)20(4)29(35-28)36-15-31(16-36)17-37(18-31)30(39)41-12-11-40-6;1-7-8-21(40)15-41-22-9-10-24(30(31,32)33)23(11-22)28-35-27(26-18(5)37-42-19(26)6)17(4)29(36-28)38-13-20-12-34-39(16(2)3)25(20)14-38;1-7-8-21(40)15-41-22-9-10-24(30(31,32)33)23(11-22)28-36-27(26-18(5)38-42-19(26)6)17(4)29(37-28)39-13-20(25(34)14-39)12-35-16(2)3;1-7-8-20(36)14-38-21-9-10-24(30)23(11-21)27-31-25(26-17(2)19(4)33-34(26)5)18(3)28(32-27)35-15-29(16-35)12-22(13-29)37-6;1-6-7-20(35)13-36-21-8-9-23(29)22(10-21)26-32-25(24(16(2)3)18(5)31)17(4)27(33-26)34-14-28(15-34)11-19(30)12-28;1-6-7-19(36)14-39-20-8-9-22(29)21(10-20)26-30-25(24-16(3)33-40-17(24)4)15(2)27(31-26)35-12-18-11-34(28(37)38-5)13-23(18)32-35/h9-10,13,22,33,38H,7-8,11-12,14-18H2,1-6H3;9-12,16,21,40H,7-8,13-15H2,1-6H3;9-12,16,21,40H,7-8,13-15,34H2,1-6H3;9-11,20,22,36H,7-8,12-16H2,1-6H3;8-10,19-20,31,35H,6-7,11-15H2,1-5H3;8-10,12,19,36H,6-7,11,13-14H2,1-5H3/b33-21+;;35-12+;;31-18+;/t22-;2*21-;2*20-;19-/m111111/s1
• InChIKey: PMOGEJPRHDBWEC-DAIFXMJHSA-N
• XLogP: 34.64
• TPSA: 642.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 57
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3393.69
LogP ≤ 5	34.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?

The IUPAC name of (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (CID 159804821) is (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.

What is the SMILES notation for (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?

The canonical SMILES for (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is CCC[C@@H](O)COc1ccc(C(F)(F)F)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC(N)=C(/C=N/C(C)C)C3)n2)c1.CCC[C@@H](O)COc1ccc(C(F)(F)F)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cnn(C(C)C)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)c(C)nn3C)c(C)c(N3CC4(CC(OC)C4)C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(-n3cc4c(n3)CN(C(=O)OC)C4)n2)c1.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CC(F)C3)C2)c1C.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CN(C(=O)OCCOC)C3)C2)c1C.

What is the InChIKey of (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?

The InChIKey is PMOGEJPRHDBWEC-DAIFXMJHSA-N. The full InChI is InChI=1S/C31H42ClN5O5.C30H35F3N6O3.C30H37F3N6O3.C29H38ClN5O3.C28H36ClFN4O2.C28H31ClN6O5/c1-7-8-22(38)14-42-23-9-10-25(32)24(13-23)28-34-27(26(19(2)3)21(5)33)20(4)29(35-28)36-15-31(16-36)17-37(18-31)30(39)41-12-11-40-6;1-7-8-21(40)15-41-22-9-10-24(30(31,32)33)23(11-22)28-35-27(26-18(5)37-42-19(26)6)17(4)29(36-28)38-13-20-12-34-39(16(2)3)25(20)14-38;1-7-8-21(40)15-41-22-9-10-24(30(31,32)33)23(11-22)28-36-27(26-18(5)38-42-19(26)6)17(4)29(37-28)39-13-20(25(34)14-39)12-35-16(2)3;1-7-8-20(36)14-38-21-9-10-24(30)23(11-21)27-31-25(26-17(2)19(4)33-34(26)5)18(3)28(32-27)35-15-29(16-35)12-22(13-29)37-6;1-6-7-20(35)13-36-21-8-9-23(29)22(10-21)26-32-25(24(16(2)3)18(5)31)17(4)27(33-26)34-14-28(15-34)11-19(30)12-28;1-6-7-19(36)14-39-20-8-9-22(29)21(10-20)26-30-25(24-16(3)33-40-17(24)4)15(2)27(31-26)35-12-18-11-34(28(37)38-5)13-23(18)32-35/h9-10,13,22,33,38H,7-8,11-12,14-18H2,1-6H3;9-12,16,21,40H,7-8,13-15H2,1-6H3;9-12,16,21,40H,7-8,13-15,34H2,1-6H3;9-11,20,22,36H,7-8,12-16H2,1-6H3;8-10,19-20,31,35H,6-7,11-15H2,1-5H3;8-10,12,19,36H,6-7,11,13-14H2,1-5H3/b33-21+;;35-12+;;31-18+;/t22-;2*21-;2*20-;19-/m111111/s1.

What are the key properties of (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?

(2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate has a molecular weight of 3393.69 g/mol, XLogP of 34.64, 57 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[3-[4-[3-amino-4-(propan-2-yliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)-5-methyl-6-(2,4,5-trimethylpyrazol-3-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenoxy]pentan-2-ol;2-methoxyethyl 6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is sourced from PubChem (CID 159804821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).