(2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C174H217Cl7F6N32O20S — CID 159426070

About (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

(2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 159426070) has the molecular formula C174H217Cl7F6N32O20S and a molecular weight of 3471.08 g/mol. Its IUPAC name is (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

• Compound Name: (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
• PubChem CID: 159426070
• Molecular Formula: C174H217Cl7F6N32O20S
• Molecular Weight: 3471.08 g/mol
• Exact Mass: 3465.44
• IUPAC Name: (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
• SMILES: C#Cc1nn(C)c(-c2nc(-c3cc(OC[C@H](O)CCC)ccc3Cl)nc(N3CC4(CCN(C(=O)OC)CC4)C3)c2C)c1C.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC(N)=C(/C=N/CCOC)C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(/C(=N/C)C(Cl)=CN)c(C)c(N3Cc4cncnc4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(C(C(=O)CC)=C(C)N)c(C)c(N3CC4(CN(CC(F)(F)F)C4)C3)n2)c1.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CC(OC(F)(F)F)C3)C2)c1C.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CC(S(C)(=O)=O)C3)C2)c1C
• InChI: InChI=1S/C32H39ClN6O4.C29H37ClF3N5O3.C29H36ClF3N4O3.C29H37ClN6O4.C29H39ClN4O4S.C26H29Cl2N7O2/c1-7-9-22(40)17-43-23-10-11-25(33)24(16-23)29-34-27(28-20(3)26(8-2)36-37(28)5)21(4)30(35-29)39-18-32(19-39)12-14-38(15-13-32)31(41)42-6;1-5-7-19(39)11-41-20-8-9-22(30)21(10-20)26-35-25(24(18(4)34)23(40)6-2)17(3)27(36-26)38-14-28(15-38)12-37(13-28)16-29(31,32)33;1-6-7-19(38)13-39-20-8-9-23(30)22(10-20)26-35-25(24(16(2)3)18(5)34)17(4)27(36-26)37-14-28(15-37)11-21(12-28)40-29(31,32)33;1-6-7-21(37)16-39-22-8-9-24(30)23(12-22)28-33-27(26-18(3)35-40-19(26)4)17(2)29(34-28)36-14-20(25(31)15-36)13-32-10-11-38-5;1-7-8-20(35)14-38-21-9-10-24(30)23(11-21)27-32-26(25(17(2)3)19(5)31)18(4)28(33-27)34-15-29(16-34)12-22(13-29)39(6,36)37;1-4-5-17(36)13-37-18-6-7-20(27)19(8-18)25-33-23(24(30-3)21(28)9-29)15(2)26(34-25)35-11-16-10-31-14-32-22(16)12-35/h2,10-11,16,22,40H,7,9,12-15,17-19H2,1,3-6H3;8-10,19,39H,5-7,11-16,34H2,1-4H3;8-10,19,21,34,38H,6-7,11-15H2,1-5H3;8-9,12-13,21,37H,6-7,10-11,14-16,31H2,1-5H3;9-11,20,22,31,35H,7-8,12-16H2,1-6H3;6-10,14,17,36H,4-5,11-13,29H2,1-3H3/b;;34-18+;32-13+;31-19+;21-9?,30-24+/t22-;2*19-;21-;20-;17-/m111111/s1
• InChIKey: OLEYJXZHNIPZJW-CXTVDLQVSA-N
• XLogP: 31.56
• TPSA: 673.44 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 51
• Rotatable Bonds: 60
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3471.08
LogP ≤ 5	31.56
H-Bond Donors ≤ 5	11
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The IUPAC name of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 159426070) is (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

What is the SMILES notation for (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The canonical SMILES for (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is C#Cc1nn(C)c(-c2nc(-c3cc(OC[C@H](O)CCC)ccc3Cl)nc(N3CC4(CCN(C(=O)OC)CC4)C3)c2C)c1C.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC(N)=C(/C=N/CCOC)C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(/C(=N/C)C(Cl)=CN)c(C)c(N3Cc4cncnc4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(C(C(=O)CC)=C(C)N)c(C)c(N3CC4(CN(CC(F)(F)F)C4)C3)n2)c1.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CC(OC(F)(F)F)C3)C2)c1C.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2CC3(CC(S(C)(=O)=O)C3)C2)c1C.

What is the InChIKey of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The InChIKey is OLEYJXZHNIPZJW-CXTVDLQVSA-N. The full InChI is InChI=1S/C32H39ClN6O4.C29H37ClF3N5O3.C29H36ClF3N4O3.C29H37ClN6O4.C29H39ClN4O4S.C26H29Cl2N7O2/c1-7-9-22(40)17-43-23-10-11-25(33)24(16-23)29-34-27(28-20(3)26(8-2)36-37(28)5)21(4)30(35-29)39-18-32(19-39)12-14-38(15-13-32)31(41)42-6;1-5-7-19(39)11-41-20-8-9-22(30)21(10-20)26-35-25(24(18(4)34)23(40)6-2)17(3)27(36-26)38-14-28(15-38)12-37(13-28)16-29(31,32)33;1-6-7-19(38)13-39-20-8-9-23(30)22(10-20)26-35-25(24(16(2)3)18(5)34)17(4)27(36-26)37-14-28(15-37)11-21(12-28)40-29(31,32)33;1-6-7-21(37)16-39-22-8-9-24(30)23(12-22)28-33-27(26-18(3)35-40-19(26)4)17(2)29(34-28)36-14-20(25(31)15-36)13-32-10-11-38-5;1-7-8-20(35)14-38-21-9-10-24(30)23(11-21)27-32-26(25(17(2)3)19(5)31)18(4)28(33-27)34-15-29(16-34)12-22(13-29)39(6,36)37;1-4-5-17(36)13-37-18-6-7-20(27)19(8-18)25-33-23(24(30-3)21(28)9-29)15(2)26(34-25)35-11-16-10-31-14-32-22(16)12-35/h2,10-11,16,22,40H,7,9,12-15,17-19H2,1,3-6H3;8-10,19,39H,5-7,11-16,34H2,1-4H3;8-10,19,21,34,38H,6-7,11-15H2,1-5H3;8-9,12-13,21,37H,6-7,10-11,14-16,31H2,1-5H3;9-11,20,22,31,35H,7-8,12-16H2,1-6H3;6-10,14,17,36H,4-5,11-13,29H2,1-3H3/b;;34-18+;32-13+;31-19+;21-9?,30-24+/t22-;2*19-;21-;20-;17-/m111111/s1.

What are the key properties of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

(2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 3471.08 g/mol, XLogP of 31.56, 60 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;5-amino-4-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-4-yl]hex-4-en-3-one;(2R)-1-[3-[4-[3-amino-4-(2-methoxyethyliminomethyl)-2,5-dihydropyrrol-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-(6-methylsulfonyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-5-methyl-6-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5-ethynyl-2,4-dimethylpyrazol-3-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 159426070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).