1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one

C122H140Cl6F2N16O20 — CID 162092383

About 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one

1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one (PubChem CID 162092383) has the molecular formula C122H140Cl6F2N16O20 and a molecular weight of 2401.27 g/mol. Its IUPAC name is 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one.

Molecular Properties

• Compound Name: 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
• PubChem CID: 162092383
• Molecular Formula: C122H140Cl6F2N16O20
• Molecular Weight: 2401.27 g/mol
• Exact Mass: 2396.85
• IUPAC Name: 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
• SMILES: C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCC(C)(O)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCC(C)(OC)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCC(C)(OC)CC3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCCC(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C31H36Cl2N4O5.C31H36F2N4O5.2C30H34Cl2N4O5/c2*1-6-20(38)11-19-16-42-17-23(19)35-26-13-21-18(15-34-26)12-22(27-28(32)24(39-3)14-25(40-4)29(27)33)36-30(21)37-9-7-31(2,41-5)8-10-37;1-5-19(37)10-18-15-41-16-22(18)34-25-12-20-17(14-33-25)11-21(35-29(20)36-8-6-30(2,38)7-9-36)26-27(31)23(39-3)13-24(40-4)28(26)32;1-5-19(37)9-18-15-41-16-23(18)34-26-11-21-17(13-33-26)10-22(35-30(21)36-8-6-7-20(14-36)38-2)27-28(31)24(39-3)12-25(40-4)29(27)32/h2*6,12-15,19,23H,1,7-11,16-17H2,2-5H3,(H,34,35);5,11-14,18,22,38H,1,6-10,15-16H2,2-4H3,(H,33,34);5,10-13,18,20,23H,1,6-9,14-16H2,2-4H3,(H,33,34)/t2*19-,23+;18-,22+;18-,20?,23+/m0000/s1
• InChIKey: ZDUFEVLGKZWZFG-AGVABEEISA-N
• XLogP: 22.72
• TPSA: 391.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2401.27
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The IUPAC name of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one (CID 162092383) is 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one.

What is the SMILES notation for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The canonical SMILES for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one is C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCC(C)(O)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCC(C)(OC)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCC(C)(OC)CC3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(N3CCCC(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The InChIKey is ZDUFEVLGKZWZFG-AGVABEEISA-N. The full InChI is InChI=1S/C31H36Cl2N4O5.C31H36F2N4O5.2C30H34Cl2N4O5/c2*1-6-20(38)11-19-16-42-17-23(19)35-26-13-21-18(15-34-26)12-22(27-28(32)24(39-3)14-25(40-4)29(27)33)36-30(21)37-9-7-31(2,41-5)8-10-37;1-5-19(37)10-18-15-41-16-22(18)34-25-12-20-17(14-33-25)11-21(35-29(20)36-8-6-30(2,38)7-9-36)26-27(31)23(39-3)13-24(40-4)28(26)32;1-5-19(37)9-18-15-41-16-23(18)34-26-11-21-17(13-33-26)10-22(35-30(21)36-8-6-7-20(14-36)38-2)27-28(31)24(39-3)12-25(40-4)29(27)32/h2*6,12-15,19,23H,1,7-11,16-17H2,2-5H3,(H,34,35);5,11-14,18,22,38H,1,6-10,15-16H2,2-4H3,(H,33,34);5,10-13,18,20,23H,1,6-9,14-16H2,2-4H3,(H,33,34)/t2*19-,23+;18-,22+;18-,20?,23+/m0000/s1.

What are the key properties of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one has a molecular weight of 2401.27 g/mol, XLogP of 22.72, 39 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one is sourced from PubChem (CID 162092383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).