1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one

C100H103Cl8N15O20 — CID 167592998

About 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one (PubChem CID 167592998) has the molecular formula C100H103Cl8N15O20 and a molecular weight of 2118.63 g/mol. Its IUPAC name is 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
• PubChem CID: 167592998
• Molecular Formula: C100H103Cl8N15O20
• Molecular Weight: 2118.63 g/mol
• Exact Mass: 2113.50
• IUPAC Name: 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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(OC(C)C)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(OCC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(OC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)nc(OC)c2n1
• InChI: InChI=1S/C27H29Cl2N3O5.C26H27Cl2N3O5.C24H24Cl2N4O5.C23H23Cl2N5O5/c1-6-17(33)7-16-12-36-13-20(16)31-23-9-18-15(11-30-23)8-19(32-27(18)37-14(2)3)24-25(28)21(34-4)10-22(35-5)26(24)29;1-5-16(32)7-15-12-35-13-19(15)30-22-9-17-14(11-29-22)8-18(31-26(17)36-6-2)23-24(27)20(33-3)10-21(34-4)25(23)28;1-5-20(31)29-16-11-35-10-15(16)28-19-7-13-12(9-27-19)6-14(30-24(13)34-4)21-22(25)17(32-2)8-18(33-3)23(21)26;1-5-17(31)27-13-9-35-10-14(13)29-23-26-8-11-6-12(28-22(34-4)21(11)30-23)18-19(24)15(32-2)7-16(33-3)20(18)25/h6,8-11,14,16,20H,1,7,12-13H2,2-5H3,(H,30,31);5,8-11,15,19H,1,6-7,12-13H2,2-4H3,(H,29,30);5-9,15-16H,1,10-11H2,2-4H3,(H,27,28)(H,29,31);5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,29,30)/t16-,20+;15-,19+;15-,16+;13-,14+/m0010/s1
• InChIKey: IRACYMMOCQYRTG-RYAFZZBFSA-N
• XLogP: 19.19
• TPSA: 404.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.63
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one (CID 167592998) is 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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(OC(C)C)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(OCC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(OC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)nc(OC)c2n1.

What is the InChIKey of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The InChIKey is IRACYMMOCQYRTG-RYAFZZBFSA-N. The full InChI is InChI=1S/C27H29Cl2N3O5.C26H27Cl2N3O5.C24H24Cl2N4O5.C23H23Cl2N5O5/c1-6-17(33)7-16-12-36-13-20(16)31-23-9-18-15(11-30-23)8-19(32-27(18)37-14(2)3)24-25(28)21(34-4)10-22(35-5)26(24)29;1-5-16(32)7-15-12-35-13-19(15)30-22-9-17-14(11-29-22)8-18(31-26(17)36-6-2)23-24(27)20(33-3)10-21(34-4)25(23)28;1-5-20(31)29-16-11-35-10-15(16)28-19-7-13-12(9-27-19)6-14(30-24(13)34-4)21-22(25)17(32-2)8-18(33-3)23(21)26;1-5-17(31)27-13-9-35-10-14(13)29-23-26-8-11-6-12(28-22(34-4)21(11)30-23)18-19(24)15(32-2)7-16(33-3)20(18)25/h6,8-11,14,16,20H,1,7,12-13H2,2-5H3,(H,30,31);5,8-11,15,19H,1,6-7,12-13H2,2-4H3,(H,29,30);5-9,15-16H,1,10-11H2,2-4H3,(H,27,28)(H,29,31);5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,29,30)/t16-,20+;15-,19+;15-,16+;13-,14+/m0010/s1.

What are the key properties of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-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-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one has a molecular weight of 2118.63 g/mol, XLogP of 19.19, 36 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methoxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-propan-2-yloxy-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one is sourced from PubChem (CID 167592998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).