4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate

C226H271Cl9F12N42O26 — CID 159341724

About 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate

4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 159341724) has the molecular formula C226H271Cl9F12N42O26 and a molecular weight of 4538.98 g/mol. Its IUPAC name is 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
• PubChem CID: 159341724
• Molecular Formula: C226H271Cl9F12N42O26
• Molecular Weight: 4538.98 g/mol
• Exact Mass: 4531.82
• IUPAC Name: 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
• SMILES: CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4N=C(C(F)(F)F)NC4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3C[C@@H]4C[C@H]3CN4CC(C)(F)F)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nccc(OC)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nccc(OCC(C)F)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(C(C(C)=O)=C(C)N)c(C)c(-c3cnn(CC(F)(F)F)c3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC)CC3)c(Cl)c(/C(=N/C)C(C)=NN)n2)c1Cl.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(-c2cnn(CC(F)F)c2)c1C.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2F)nc(N2CC3(CCC(OC)CC3)C2)c1C
• InChI: InChI=1S/C31H35ClFN5O4.C31H43FN4O3.C29H36ClF2N5O3.C29H32ClN5O4.C27H30ClF3N6O3.C27H32ClF2N5O2.C26H34Cl3N7O4.C26H29ClF3N5O3/c1-6-7-21(39)16-40-22-8-9-25(32)23(12-22)30-35-29(28-19(4)37-42-20(28)5)18(3)31(36-30)38-13-24-26(14-38)34-11-10-27(24)41-15-17(2)33;1-7-8-22(37)16-39-24-9-10-26(32)25(15-24)29-34-28(27(19(2)3)21(5)33)20(4)30(35-29)36-17-31(18-36)13-11-23(38-6)12-14-31;1-6-7-21(38)14-39-22-8-9-24(30)23(11-22)27-33-26(25-17(3)35-40-18(25)4)16(2)28(34-27)37-13-19-10-20(37)12-36(19)15-29(5,31)32;1-6-7-19(36)15-38-20-8-9-23(30)21(12-20)28-32-27(26-17(3)34-39-18(26)4)16(2)29(33-28)35-13-22-24(14-35)31-11-10-25(22)37-5;1-5-6-16(38)12-39-17-7-8-19(28)18(9-17)24-34-23(22-14(3)36-40-15(22)4)13(2)25(35-24)37-10-20-21(11-37)33-26(32-20)27(29,30)31;1-6-7-19(36)14-37-20-8-9-22(28)21(10-20)27-33-25(18-11-32-35(12-18)13-23(29)30)16(4)26(34-27)24(15(2)3)17(5)31;1-5-6-16(37)13-40-18-8-7-17(27)19(20(18)28)24-33-23(22(31-3)14(2)35-30)21(29)25(34-24)32-15-9-11-36(12-10-15)26(38)39-4;1-5-6-18(37)12-38-19-7-8-21(27)20(9-19)25-33-23(17-10-32-35(11-17)13-26(28,29)30)14(2)24(34-25)22(15(3)31)16(4)36/h8-12,17,21,39H,6-7,13-16H2,1-5H3;9-10,15,22-23,33,37H,7-8,11-14,16-18H2,1-6H3;8-9,11,19-21,38H,6-7,10,12-15H2,1-5H3;8-12,19,36H,6-7,13-15H2,1-5H3;7-9,16,20-21,38H,5-6,10-12H2,1-4H3,(H,32,33);8-12,19,23,31,36H,6-7,13-14H2,1-5H3;7-8,15-16,37H,5-6,9-13,30H2,1-4H3,(H,32,33,34);7-11,18,37H,5-6,12-13,31H2,1-4H3/b;33-21+;;;;31-17+;31-22+,35-14?;/t17?,21-;22-;19-,20-,21+;19-;16-,20?,21?;19-;16-;18-/m11011111/s1
• InChIKey: NKVMUYQMIJSMCO-AIFZFMFTSA-N
• XLogP: 46.64
• TPSA: 862.08 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 67
• Rotatable Bonds: 79
• Heavy Atoms: 315
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4538.98
LogP ≤ 5	46.64
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	67

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?

The IUPAC name of 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 159341724) is 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4N=C(C(F)(F)F)NC4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3C[C@@H]4C[C@H]3CN4CC(C)(F)F)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nccc(OC)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nccc(OCC(C)F)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(C(C(C)=O)=C(C)N)c(C)c(-c3cnn(CC(F)(F)F)c3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC)CC3)c(Cl)c(/C(=N/C)C(C)=NN)n2)c1Cl.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(-c2cnn(CC(F)F)c2)c1C.[H]/N=C(\C)C(=C(C)C)c1nc(-c2cc(OC[C@H](O)CCC)ccc2F)nc(N2CC3(CCC(OC)CC3)C2)c1C.

What is the InChIKey of 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?

The InChIKey is NKVMUYQMIJSMCO-AIFZFMFTSA-N. The full InChI is InChI=1S/C31H35ClFN5O4.C31H43FN4O3.C29H36ClF2N5O3.C29H32ClN5O4.C27H30ClF3N6O3.C27H32ClF2N5O2.C26H34Cl3N7O4.C26H29ClF3N5O3/c1-6-7-21(39)16-40-22-8-9-25(32)23(12-22)30-35-29(28-19(4)37-42-20(28)5)18(3)31(36-30)38-13-24-26(14-38)34-11-10-27(24)41-15-17(2)33;1-7-8-22(37)16-39-24-9-10-26(32)25(15-24)29-34-28(27(19(2)3)21(5)33)20(4)30(35-29)36-17-31(18-36)13-11-23(38-6)12-14-31;1-6-7-21(38)14-39-22-8-9-24(30)23(11-22)27-33-26(25-17(3)35-40-18(25)4)16(2)28(34-27)37-13-19-10-20(37)12-36(19)15-29(5,31)32;1-6-7-19(36)15-38-20-8-9-23(30)21(12-20)28-32-27(26-17(3)34-39-18(26)4)16(2)29(33-28)35-13-22-24(14-35)31-11-10-25(22)37-5;1-5-6-16(38)12-39-17-7-8-19(28)18(9-17)24-34-23(22-14(3)36-40-15(22)4)13(2)25(35-24)37-10-20-21(11-37)33-26(32-20)27(29,30)31;1-6-7-19(36)14-37-20-8-9-22(28)21(10-20)27-33-25(18-11-32-35(12-18)13-23(29)30)16(4)26(34-27)24(15(2)3)17(5)31;1-5-6-16(37)13-40-18-8-7-17(27)19(20(18)28)24-33-23(22(31-3)14(2)35-30)21(29)25(34-24)32-15-9-11-36(12-10-15)26(38)39-4;1-5-6-18(37)12-38-19-7-8-21(27)20(9-19)25-33-23(17-10-32-35(11-17)13-26(28,29)30)14(2)24(34-25)22(15(3)31)16(4)36/h8-12,17,21,39H,6-7,13-16H2,1-5H3;9-10,15,22-23,33,37H,7-8,11-14,16-18H2,1-6H3;8-9,11,19-21,38H,6-7,10,12-15H2,1-5H3;8-12,19,36H,6-7,13-15H2,1-5H3;7-9,16,20-21,38H,5-6,10-12H2,1-4H3,(H,32,33);8-12,19,23,31,36H,6-7,13-14H2,1-5H3;7-8,15-16,37H,5-6,9-13,30H2,1-4H3,(H,32,33,34);7-11,18,37H,5-6,12-13,31H2,1-4H3/b;33-21+;;;;31-17+;31-22+,35-14?;/t17?,21-;22-;19-,20-,21+;19-;16-,20?,21?;19-;16-;18-/m11011111/s1.

What are the key properties of 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?

4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 4538.98 g/mol, XLogP of 46.64, 79 rotatable bonds, 14 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]pent-3-en-2-one;(2R)-1-[4-chloro-3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(4-imino-2-methylpent-2-en-3-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[(1S,4S)-5-(2,2-difluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-fluoropropoxy)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[2-(trifluoromethyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-d]imidazol-5-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-fluoro-3-[4-(4-imino-2-methylpent-2-en-3-yl)-6-(7-methoxy-2-azaspiro[3.5]nonan-2-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;methyl 4-[[5-chloro-2-[2,6-dichloro-3-[(2R)-2-hydroxypentoxy]phenyl]-6-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 159341724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).