(3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione

C107H105FN20O21 — CID 157129898

About (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione

(3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione (PubChem CID 157129898) has the molecular formula C107H105FN20O21 and a molecular weight of 2026.13 g/mol. Its IUPAC name is (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione
• PubChem CID: 157129898
• Molecular Formula: C107H105FN20O21
• Molecular Weight: 2026.13 g/mol
• Exact Mass: 2024.77
• IUPAC Name: (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione
• SMILES: COCCN1CCN(c2ccc(OC)c(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)n2)CC1.COc1ccc(N2CCC2=O)nc1C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCCCC4)nc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cnc(N(C)C)nc4)ccc3OC)CC(=O)NC1=O)C2
• InChI: InChI=1S/C29H33N5O6.C28H26N6O5.C26H26N4O4.C24H20FN5O6/c1-38-15-14-32-10-12-33(13-11-32)25-7-6-24(40-3)23(30-25)8-9-29(17-26(35)31-28(29)37)19-34-18-20-4-5-21(39-2)16-22(20)27(34)36;1-33(2)27-29-13-18(14-30-27)21-7-8-23(39-4)22(31-21)9-10-28(12-24(35)32-26(28)37)16-34-15-17-5-6-19(38-3)11-20(17)25(34)36;1-34-20-7-6-19-16-30(24(32)21(19)13-20)17-26(14-23(31)28-25(26)33)10-9-18-5-8-22(27-15-18)29-11-3-2-4-12-29;1-35-15-5-6-17(30-10-8-18(30)31)26-14(15)7-9-24(22(33)27-23(34)28-24)12-29-11-13-3-4-16(36-2)20(25)19(13)21(29)32/h4-7,16H,10-15,17-19H2,1-3H3,(H,31,35,37);5-8,11,13-14H,12,15-16H2,1-4H3,(H,32,35,37);5-8,13,15H,2-4,11-12,14,16-17H2,1H3,(H,28,31,33);3-6H,8,10-12H2,1-2H3,(H2,27,28,33,34)/t29-;28-;26-;24-/m1111/s1
• InChIKey: AIYCMXOUOKIDMD-NQTLGSHOSA-N
• XLogP: 5.25
• TPSA: 462.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.13
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione?

The IUPAC name of (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione (CID 157129898) is (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione.

What is the SMILES notation for (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione?

The canonical SMILES for (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione is COCCN1CCN(c2ccc(OC)c(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)n2)CC1.COc1ccc(N2CCC2=O)nc1C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCCCC4)nc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cnc(N(C)C)nc4)ccc3OC)CC(=O)NC1=O)C2.

What is the InChIKey of (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione?

The InChIKey is AIYCMXOUOKIDMD-NQTLGSHOSA-N. The full InChI is InChI=1S/C29H33N5O6.C28H26N6O5.C26H26N4O4.C24H20FN5O6/c1-38-15-14-32-10-12-33(13-11-32)25-7-6-24(40-3)23(30-25)8-9-29(17-26(35)31-28(29)37)19-34-18-20-4-5-21(39-2)16-22(20)27(34)36;1-33(2)27-29-13-18(14-30-27)21-7-8-23(39-4)22(31-21)9-10-28(12-24(35)32-26(28)37)16-34-15-17-5-6-19(38-3)11-20(17)25(34)36;1-34-20-7-6-19-16-30(24(32)21(19)13-20)17-26(14-23(31)28-25(26)33)10-9-18-5-8-22(27-15-18)29-11-3-2-4-12-29;1-35-15-5-6-17(30-10-8-18(30)31)26-14(15)7-9-24(22(33)27-23(34)28-24)12-29-11-13-3-4-16(36-2)20(25)19(13)21(29)32/h4-7,16H,10-15,17-19H2,1-3H3,(H,31,35,37);5-8,11,13-14H,12,15-16H2,1-4H3,(H,32,35,37);5-8,13,15H,2-4,11-12,14,16-17H2,1H3,(H,28,31,33);3-6H,8,10-12H2,1-2H3,(H2,27,28,33,34)/t29-;28-;26-;24-/m1111/s1.

What are the key properties of (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione?

(3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione has a molecular weight of 2026.13 g/mol, XLogP of 5.25, 23 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methoxy-6-(2-oxoazetidin-1-yl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(3S)-3-[2-[3-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 157129898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).