N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

C108H117Cl6F2N21O18 — CID 167690249

About N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide (PubChem CID 167690249) has the molecular formula C108H117Cl6F2N21O18 and a molecular weight of 2247.97 g/mol. Its IUPAC name is N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
• PubChem CID: 167690249
• Molecular Formula: C108H117Cl6F2N21O18
• Molecular Weight: 2247.97 g/mol
• Exact Mass: 2243.70
• IUPAC Name: N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
• SMILES: C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC(N(C)C)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC(OC)C3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CCC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C28H32Cl2N6O4.C27H29Cl2N5O5.C27H29F2N5O5.C26H27Cl2N5O4/c1-6-24(37)33-20-14-40-13-19(20)32-23-8-17-15(10-31-23)7-18(34-28(17)36-11-16(12-36)35(2)3)25-26(29)21(38-4)9-22(39-5)27(25)30;2*1-5-23(35)32-19-13-39-12-18(19)31-22-7-16-14(9-30-22)6-17(33-27(16)34-10-15(11-34)36-2)24-25(28)20(37-3)8-21(38-4)26(24)29;1-4-22(34)31-18-13-37-12-17(18)30-21-9-15-14(11-29-21)8-16(32-26(15)33-6-5-7-33)23-24(27)19(35-2)10-20(36-3)25(23)28/h6-10,16,19-20H,1,11-14H2,2-5H3,(H,31,32)(H,33,37);2*5-9,15,18-19H,1,10-13H2,2-4H3,(H,30,31)(H,32,35);4,8-11,17-18H,1,5-7,12-13H2,2-3H3,(H,29,30)(H,31,34)/t19-,20+;2*18-,19+;17-,18+/m1111/s1
• InChIKey: WVBCDLMNHYLSBI-AYYBPGJHSA-N
• XLogP: 15.01
• TPSA: 413.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2247.97
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The IUPAC name of N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide (CID 167690249) is N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide.

What is the SMILES notation for N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The canonical SMILES for N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC(N(C)C)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC(OC)C3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CCC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The InChIKey is WVBCDLMNHYLSBI-AYYBPGJHSA-N. The full InChI is InChI=1S/C28H32Cl2N6O4.C27H29Cl2N5O5.C27H29F2N5O5.C26H27Cl2N5O4/c1-6-24(37)33-20-14-40-13-19(20)32-23-8-17-15(10-31-23)7-18(34-28(17)36-11-16(12-36)35(2)3)25-26(29)21(38-4)9-22(39-5)27(25)30;2*1-5-23(35)32-19-13-39-12-18(19)31-22-7-16-14(9-30-22)6-17(33-27(16)34-10-15(11-34)36-2)24-25(28)20(37-3)8-21(38-4)26(24)29;1-4-22(34)31-18-13-37-12-17(18)30-21-9-15-14(11-29-21)8-16(32-26(15)33-6-5-7-33)23-24(27)19(35-2)10-20(36-3)25(23)28/h6-10,16,19-20H,1,11-14H2,2-5H3,(H,31,32)(H,33,37);2*5-9,15,18-19H,1,10-13H2,2-4H3,(H,30,31)(H,32,35);4,8-11,17-18H,1,5-7,12-13H2,2-3H3,(H,29,30)(H,31,34)/t19-,20+;2*18-,19+;17-,18+/m1111/s1.

What are the key properties of N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide has a molecular weight of 2247.97 g/mol, XLogP of 15.01, 35 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(dimethylamino)azetidin-1-yl]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 167690249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).