N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide

C110H95Cl6F3N16O16 — CID 157065504

About N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide

N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide (PubChem CID 157065504) has the molecular formula C110H95Cl6F3N16O16 and a molecular weight of 2166.78 g/mol. Its IUPAC name is N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide
• PubChem CID: 157065504
• Molecular Formula: C110H95Cl6F3N16O16
• Molecular Weight: 2166.78 g/mol
• Exact Mass: 2162.52
• IUPAC Name: N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Cc1cccc(C(F)(F)F)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(Cc3ccc(NC(=O)C=C)cc3)c2n1.C=CC(=O)Cc1cccc(OC)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(Cc3ccc(NC(=O)C=C)cc3)c2n1.C=CC(=O)Cc1ccccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(Cc3ccc(NC(=O)/C=C/CN(C)C)cc3)c2n1
• InChI: InChI=1S/C38H36Cl2N6O5.C36H28Cl2F3N5O5.C36H31Cl2N5O6/c1-6-27(47)18-24-10-7-8-11-29(24)43-38-41-21-25-19-28(33-34(39)30(50-4)20-31(51-5)35(33)40)37(49)46(36(25)44-38)22-23-13-15-26(16-14-23)42-32(48)12-9-17-45(2)3;1-5-23(47)14-20-8-7-9-25(36(39,40)41)32(20)44-35-42-17-21-15-24(29-30(37)26(50-3)16-27(51-4)31(29)38)34(49)46(33(21)45-35)18-19-10-12-22(13-11-19)43-28(48)6-2;1-6-24(44)15-21-9-8-10-26(47-3)33(21)41-36-39-18-22-16-25(30-31(37)27(48-4)17-28(49-5)32(30)38)35(46)43(34(22)42-36)19-20-11-13-23(14-12-20)40-29(45)7-2/h6-16,19-21H,1,17-18,22H2,2-5H3,(H,42,48)(H,41,43,44);5-13,15-17H,1-2,14,18H2,3-4H3,(H,43,48)(H,42,44,45);6-14,16-18H,1-2,15,19H2,3-5H3,(H,40,45)(H,39,41,42)/b12-9+
• InChIKey: ABVGQKIRKKZVER-ANOGCNOSSA-N
• XLogP: 21.95
• TPSA: 385.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.78
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide?

The IUPAC name of N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide (CID 157065504) is N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide?

The canonical SMILES for N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide is C=CC(=O)Cc1cccc(C(F)(F)F)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(Cc3ccc(NC(=O)C=C)cc3)c2n1.C=CC(=O)Cc1cccc(OC)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(Cc3ccc(NC(=O)C=C)cc3)c2n1.C=CC(=O)Cc1ccccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(Cc3ccc(NC(=O)/C=C/CN(C)C)cc3)c2n1.

What is the InChIKey of N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide?

The InChIKey is ABVGQKIRKKZVER-ANOGCNOSSA-N. The full InChI is InChI=1S/C38H36Cl2N6O5.C36H28Cl2F3N5O5.C36H31Cl2N5O6/c1-6-27(47)18-24-10-7-8-11-29(24)43-38-41-21-25-19-28(33-34(39)30(50-4)20-31(51-5)35(33)40)37(49)46(36(25)44-38)22-23-13-15-26(16-14-23)42-32(48)12-9-17-45(2)3;1-5-23(47)14-20-8-7-9-25(36(39,40)41)32(20)44-35-42-17-21-15-24(29-30(37)26(50-3)16-27(51-4)31(29)38)34(49)46(33(21)45-35)18-19-10-12-22(13-11-19)43-28(48)6-2;1-6-24(44)15-21-9-8-10-26(47-3)33(21)41-36-39-18-22-16-25(30-31(37)27(48-4)17-28(49-5)32(30)38)35(46)43(34(22)42-36)19-20-11-13-23(14-12-20)40-29(45)7-2/h6-16,19-21H,1,17-18,22H2,2-5H3,(H,42,48)(H,41,43,44);5-13,15-17H,1-2,14,18H2,3-4H3,(H,43,48)(H,42,44,45);6-14,16-18H,1-2,15,19H2,3-5H3,(H,40,45)(H,39,41,42)/b12-9+;;.

What are the key properties of N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide?

N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide has a molecular weight of 2166.78 g/mol, XLogP of 21.95, 39 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-methoxy-6-(2-oxobut-3-enyl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide;(E)-N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-2-[2-(2-oxobut-3-enyl)-6-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 157065504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).