[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate

C121H132F2N20O29 — CID 157321246

About [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate

[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate (PubChem CID 157321246) has the molecular formula C121H132F2N20O29 and a molecular weight of 2368.49 g/mol. Its IUPAC name is [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate
• PubChem CID: 157321246
• Molecular Formula: C121H132F2N20O29
• Molecular Weight: 2368.49 g/mol
• Exact Mass: 2366.94
• IUPAC Name: [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(COC(=O)C3(C)CCCCC3)C1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(COC(=O)[C@H](N)C(C)C)C1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)NC(=O)N(COC(=O)C(C)(C)C)C1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4nc(N5CCC(OC)CC5)ccc4o3)C(=O)N(COC(=O)C(C)(C)C)C(=O)N1C)C2
• InChI: InChI=1S/C33H37FN6O7.C33H38FN5O8.C29H30N4O7.C26H27N5O7/c1-32(2,3)30(44)47-19-40-29(43)33(37-31(40)45,18-39-17-22-6-7-24(46-5)26(34)25(22)28(39)42)11-8-20-14-23(16-35-15-20)36-27(41)21-9-12-38(4)13-10-21;1-32(2,3)30(42)46-18-39-29(41)33(36(4)31(39)43,17-38-16-19-7-8-23(45-6)27(34)26(19)28(38)40)24-15-21-22(47-24)9-10-25(35-21)37-13-11-20(44-5)12-14-37;1-28(9-4-3-5-10-28)26(36)39-17-33-25(35)29(31-27(33)37,23-12-19-14-30-11-8-22(19)40-23)16-32-15-18-6-7-20(38-2)13-21(18)24(32)34;1-14(2)21(27)23(33)37-13-31-24(34)26(29-25(31)35,20-8-16-10-28-7-6-19(16)38-20)12-30-11-15-4-5-17(36-3)9-18(15)22(30)32/h6-7,14-16,21H,9-10,12-13,17-19H2,1-5H3,(H,36,41)(H,37,45);7-10,15,20H,11-14,16-18H2,1-6H3;6-8,11-14H,3-5,9-10,15-17H2,1-2H3,(H,31,37);4-10,14,21H,11-13,27H2,1-3H3,(H,29,35)/t2*33-;29-;21-,26+/m1001/s1
• InChIKey: BEEQKWWOZROMII-MULHLGGFSA-N
• XLogP: 11.67
• TPSA: 574.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.49
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate?

The IUPAC name of [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate (CID 157321246) is [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate.

What is the SMILES notation for [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate?

The canonical SMILES for [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(COC(=O)C3(C)CCCCC3)C1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(COC(=O)[C@H](N)C(C)C)C1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)NC(=O)N(COC(=O)C(C)(C)C)C1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4nc(N5CCC(OC)CC5)ccc4o3)C(=O)N(COC(=O)C(C)(C)C)C(=O)N1C)C2.

What is the InChIKey of [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate?

The InChIKey is BEEQKWWOZROMII-MULHLGGFSA-N. The full InChI is InChI=1S/C33H37FN6O7.C33H38FN5O8.C29H30N4O7.C26H27N5O7/c1-32(2,3)30(44)47-19-40-29(43)33(37-31(40)45,18-39-17-22-6-7-24(46-5)26(34)25(22)28(39)42)11-8-20-14-23(16-35-15-20)36-27(41)21-9-12-38(4)13-10-21;1-32(2,3)30(42)46-18-39-29(41)33(36(4)31(39)43,17-38-16-19-7-8-23(45-6)27(34)26(19)28(38)40)24-15-21-22(47-24)9-10-25(35-21)37-13-11-20(44-5)12-14-37;1-28(9-4-3-5-10-28)26(36)39-17-33-25(35)29(31-27(33)37,23-12-19-14-30-11-8-22(19)40-23)16-32-15-18-6-7-20(38-2)13-21(18)24(32)34;1-14(2)21(27)23(33)37-13-31-24(34)26(29-25(31)35,20-8-16-10-28-7-6-19(16)38-20)12-30-11-15-4-5-17(36-3)9-18(15)22(30)32/h6-7,14-16,21H,9-10,12-13,17-19H2,1-5H3,(H,36,41)(H,37,45);7-10,15,20H,11-14,16-18H2,1-6H3;6-8,11-14H,3-5,9-10,15-17H2,1-2H3,(H,31,37);4-10,14,21H,11-13,27H2,1-3H3,(H,29,35)/t2*33-;29-;21-,26+/m1001/s1.

What are the key properties of [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate?

[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate has a molecular weight of 2368.49 g/mol, XLogP of 11.67, 30 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-methoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-[2-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]ethynyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl (2R)-2-amino-3-methylbutanoate;[(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 157321246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).