(2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide

C185H218Cl3F6N25O18 — CID 158643268

About (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide

(2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 158643268) has the molecular formula C185H218Cl3F6N25O18 and a molecular weight of 3300.28 g/mol. Its IUPAC name is (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide
• PubChem CID: 158643268
• Molecular Formula: C185H218Cl3F6N25O18
• Molecular Weight: 3300.28 g/mol
• Exact Mass: 3296.59
• IUPAC Name: (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide
• SMILES: COc1cc(C(=O)CCCOCCOC2CCC(Nc3nccc(-c4cnn(Cc5ccccc5)c4N(C)C)n3)CC2)ccc1CC(=O)C1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(C)cc2F)[C@H]1c1cccc(Cl)c1F.COc1cc(C(=O)CCCOCCOCCOCCOC2CCC(Nc3nccc(-c4cnn(Cc5ccccc5)c4N(C)C)n3)CC2)ccc1CC(=O)C1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(C)cc2F)[C@H]1c1cccc(Cl)c1F.COc1ccc(C(=O)NCCOCCOCCOC2CCC(Nc3nccc(-c4cnn(Cc5ccccc5)c4N(C)C)n3)CC2)cc1CC(=O)C1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(C)cc2F)[C@H]1c1cccc(Cl)c1F
• InChI: InChI=1S/C64H77ClF2N8O7.C61H72ClF2N9O6.C60H69ClF2N8O5/c1-42-18-25-50(52(66)35-42)64(41-68)57(38-63(2,3)4)73-60(58(64)48-15-11-16-51(65)59(48)67)55(77)36-45-20-19-44(37-56(45)78-7)54(76)17-12-28-79-29-30-80-31-32-81-33-34-82-47-23-21-46(22-24-47)71-62-69-27-26-53(72-62)49-39-70-75(61(49)74(5)6)40-43-13-9-8-10-14-43;1-39-16-22-47(49(63)32-39)61(38-65)53(35-60(2,3)4)71-56(54(61)45-14-11-15-48(62)55(45)64)51(74)34-42-33-41(17-23-52(42)76-7)57(75)66-26-27-77-28-29-78-30-31-79-44-20-18-43(19-21-44)69-59-67-25-24-50(70-59)46-36-68-73(58(46)72(5)6)37-40-12-9-8-10-13-40;1-38-18-25-46(48(62)31-38)60(37-64)53(34-59(2,3)4)69-56(54(60)44-15-11-16-47(61)55(44)63)51(73)32-41-20-19-40(33-52(41)74-7)50(72)17-12-28-75-29-30-76-43-23-21-42(22-24-43)67-58-65-27-26-49(68-58)45-35-66-71(57(45)70(5)6)36-39-13-9-8-10-14-39/h8-11,13-16,18-20,25-27,35,37,39,46-47,57-58,60,73H,12,17,21-24,28-34,36,38,40H2,1-7H3,(H,69,71,72);8-17,22-25,32-33,36,43-44,53-54,56,71H,18-21,26-31,34-35,37H2,1-7H3,(H,66,75)(H,67,69,70);8-11,13-16,18-20,25-27,31,33,35,42-43,53-54,56,69H,12,17,21-24,28-30,32,34,36H2,1-7H3,(H,65,67,68)/t46?,47?,57-,58-,60?,64-;43?,44?,53-,54-,56?,61-;42?,43?,53-,54-,56?,60-/m000/s1
• InChIKey: IAQMYZOWQUTEHM-VMUKQIIDSA-N
• XLogP: 32.58
• TPSA: 509.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 74
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3300.28
LogP ≤ 5	32.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide?

The IUPAC name of (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide (CID 158643268) is (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide.

What is the SMILES notation for (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide?

The canonical SMILES for (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide is COc1cc(C(=O)CCCOCCOC2CCC(Nc3nccc(-c4cnn(Cc5ccccc5)c4N(C)C)n3)CC2)ccc1CC(=O)C1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(C)cc2F)[C@H]1c1cccc(Cl)c1F.COc1cc(C(=O)CCCOCCOCCOCCOC2CCC(Nc3nccc(-c4cnn(Cc5ccccc5)c4N(C)C)n3)CC2)ccc1CC(=O)C1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(C)cc2F)[C@H]1c1cccc(Cl)c1F.COc1ccc(C(=O)NCCOCCOCCOC2CCC(Nc3nccc(-c4cnn(Cc5ccccc5)c4N(C)C)n3)CC2)cc1CC(=O)C1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(C)cc2F)[C@H]1c1cccc(Cl)c1F.

What is the InChIKey of (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide?

The InChIKey is IAQMYZOWQUTEHM-VMUKQIIDSA-N. The full InChI is InChI=1S/C64H77ClF2N8O7.C61H72ClF2N9O6.C60H69ClF2N8O5/c1-42-18-25-50(52(66)35-42)64(41-68)57(38-63(2,3)4)73-60(58(64)48-15-11-16-51(65)59(48)67)55(77)36-45-20-19-44(37-56(45)78-7)54(76)17-12-28-79-29-30-80-31-32-81-33-34-82-47-23-21-46(22-24-47)71-62-69-27-26-53(72-62)49-39-70-75(61(49)74(5)6)40-43-13-9-8-10-14-43;1-39-16-22-47(49(63)32-39)61(38-65)53(35-60(2,3)4)71-56(54(61)45-14-11-15-48(62)55(45)64)51(74)34-42-33-41(17-23-52(42)76-7)57(75)66-26-27-77-28-29-78-30-31-79-44-20-18-43(19-21-44)69-59-67-25-24-50(70-59)46-36-68-73(58(46)72(5)6)37-40-12-9-8-10-13-40;1-38-18-25-46(48(62)31-38)60(37-64)53(34-59(2,3)4)69-56(54(60)44-15-11-16-47(61)55(44)63)51(73)32-41-20-19-40(33-52(41)74-7)50(72)17-12-28-75-29-30-76-43-23-21-42(22-24-43)67-58-65-27-26-49(68-58)45-35-66-71(57(45)70(5)6)36-39-13-9-8-10-14-39/h8-11,13-16,18-20,25-27,35,37,39,46-47,57-58,60,73H,12,17,21-24,28-34,36,38,40H2,1-7H3,(H,69,71,72);8-17,22-25,32-33,36,43-44,53-54,56,71H,18-21,26-31,34-35,37H2,1-7H3,(H,66,75)(H,67,69,70);8-11,13-16,18-20,25-27,31,33,35,42-43,53-54,56,69H,12,17,21-24,28-30,32,34,36H2,1-7H3,(H,65,67,68)/t46?,47?,57-,58-,60?,64-;43?,44?,53-,54-,56?,61-;42?,43?,53-,54-,56?,60-/m000/s1.

What are the key properties of (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide?

(2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 3300.28 g/mol, XLogP of 32.58, 74 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 158643268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).