3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine

C148H178N24O17 — CID 159354616

About 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine

3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine (PubChem CID 159354616) has the molecular formula C148H178N24O17 and a molecular weight of 2565.20 g/mol. Its IUPAC name is 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine
• PubChem CID: 159354616
• Molecular Formula: C148H178N24O17
• Molecular Weight: 2565.20 g/mol
• Exact Mass: 2563.38
• IUPAC Name: 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine
• SMILES: C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nccc2c1COC2)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2O)cc1)N(c1ncccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2OCCOC)cc1)N(c1ncccc1C)[C@@H]1CCCNC1.Cc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1
• InChI: InChI=1S/C27H36N4O3.C25H28N4O3.3C24H28N4O3.C24H30N4O2/c1-19-8-6-15-29-26(19)31(23-9-7-14-28-18-23)20(2)21-10-12-22(13-11-21)24-25(33-17-16-32-5)27(3,4)34-30-24;1-16(17-6-8-18(9-7-17)22-23(30)25(2,3)32-28-22)29(20-5-4-11-26-13-20)24-21-15-31-14-19(21)10-12-27-24;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;2*1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20;1-16-7-5-14-26-23(16)28(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(29)24(3,4)30-27-21/h6,8,10-13,15,23,25,28H,2,7,9,14,16-18H2,1,3-5H3;6-10,12,20,26H,1,4-5,11,13-15H2,2-3H3;3*5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;5,7,9-12,14,20,22,25,29H,2,6,8,13,15H2,1,3-4H3/t23-,25?;20-;3*18-;20-,22?/m111111/s1
• InChIKey: LHTPEKLSFTUDED-BIYDNGFDSA-N
• XLogP: 20.62
• TPSA: 465.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.20
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

The IUPAC name of 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine (CID 159354616) is 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

The canonical SMILES for 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nccc2c1COC2)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2O)cc1)N(c1ncccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2OCCOC)cc1)N(c1ncccc1C)[C@@H]1CCCNC1.Cc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1.

What is the InChIKey of 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

The InChIKey is LHTPEKLSFTUDED-BIYDNGFDSA-N. The full InChI is InChI=1S/C27H36N4O3.C25H28N4O3.3C24H28N4O3.C24H30N4O2/c1-19-8-6-15-29-26(19)31(23-9-7-14-28-18-23)20(2)21-10-12-22(13-11-21)24-25(33-17-16-32-5)27(3,4)34-30-24;1-16(17-6-8-18(9-7-17)22-23(30)25(2,3)32-28-22)29(20-5-4-11-26-13-20)24-21-15-31-14-19(21)10-12-27-24;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;2*1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20;1-16-7-5-14-26-23(16)28(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(29)24(3,4)30-27-21/h6,8,10-13,15,23,25,28H,2,7,9,14,16-18H2,1,3-5H3;6-10,12,20,26H,1,4-5,11,13-15H2,2-3H3;3*5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;5,7,9-12,14,20,22,25,29H,2,6,8,13,15H2,1,3-4H3/t23-,25?;20-;3*18-;20-,22?/m111111/s1.

What are the key properties of 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine has a molecular weight of 2565.20 g/mol, XLogP of 20.62, 31 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 159354616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).