6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C143H143F8N27O18 — CID 161357364

About 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161357364) has the molecular formula C143H143F8N27O18 and a molecular weight of 2679.87 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161357364
• Molecular Formula: C143H143F8N27O18
• Molecular Weight: 2679.87 g/mol
• Exact Mass: 2678.10
• IUPAC Name: 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccn(C)n4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccncn4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F
• InChI: InChI=1S/C39H40F2N6O5.C38H39F2N7O5.C33H33F2N7O4.C33H31F2N7O4/c1-45(2)14-6-9-30(48)20-25-7-5-8-26(19-25)24-47-37-27(21-31(38(47)49)34-35(40)32(50-3)22-33(51-4)36(34)41)23-42-39(44-37)43-28-10-12-29(13-11-28)46-15-17-52-18-16-46;1-45(2)12-6-9-28(48)18-24-7-5-8-25(17-24)23-47-36-26(19-29(37(47)49)33-34(39)30(50-3)20-31(51-4)35(33)40)21-42-38(44-36)43-32-11-10-27(22-41-32)46-13-15-52-16-14-46;1-40(2)12-7-10-23(43)15-20-8-6-9-21(14-20)19-42-31-22(18-36-33(38-31)37-27-11-13-41(3)39-27)16-24(32(42)44)28-29(34)25(45-4)17-26(46-5)30(28)35;1-41(2)12-6-9-23(43)14-20-7-5-8-21(13-20)18-42-31-22(17-37-33(40-31)39-27-10-11-36-19-38-27)15-24(32(42)44)28-29(34)25(45-3)16-26(46-4)30(28)35/h5-13,19,21-23H,14-18,20,24H2,1-4H3,(H,42,43,44);5-11,17,19-22H,12-16,18,23H2,1-4H3,(H,41,42,43,44);6-11,13-14,16-18H,12,15,19H2,1-5H3,(H,36,37,38,39);5-11,13,15-17,19H,12,14,18H2,1-4H3,(H,36,37,38,39,40)/b2*9-6+;10-7+;9-6+
• InChIKey: VOSHRCRUXKIMEY-HGGMZJMWSA-N
• XLogP: 19.69
• TPSA: 475.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 50
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2679.87
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 161357364) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccn(C)n4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(Nc4ccncn4)nc3n(Cc3cccc(CC(=O)/C=C/CN(C)C)c3)c2=O)c1F.

What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is VOSHRCRUXKIMEY-HGGMZJMWSA-N. The full InChI is InChI=1S/C39H40F2N6O5.C38H39F2N7O5.C33H33F2N7O4.C33H31F2N7O4/c1-45(2)14-6-9-30(48)20-25-7-5-8-26(19-25)24-47-37-27(21-31(38(47)49)34-35(40)32(50-3)22-33(51-4)36(34)41)23-42-39(44-37)43-28-10-12-29(13-11-28)46-15-17-52-18-16-46;1-45(2)12-6-9-28(48)18-24-7-5-8-25(17-24)23-47-36-26(19-29(37(47)49)33-34(39)30(50-3)20-31(51-4)35(33)40)21-42-38(44-36)43-32-11-10-27(22-41-32)46-13-15-52-16-14-46;1-40(2)12-7-10-23(43)15-20-8-6-9-21(14-20)19-42-31-22(18-36-33(38-31)37-27-11-13-41(3)39-27)16-24(32(42)44)28-29(34)25(45-4)17-26(46-5)30(28)35;1-41(2)12-6-9-23(43)14-20-7-5-8-21(13-20)18-42-31-22(17-37-33(40-31)39-27-10-11-36-19-38-27)15-24(32(42)44)28-29(34)25(45-3)16-26(46-4)30(28)35/h5-13,19,21-23H,14-18,20,24H2,1-4H3,(H,42,43,44);5-11,17,19-22H,12-16,18,23H2,1-4H3,(H,41,42,43,44);6-11,13-14,16-18H,12,15,19H2,1-5H3,(H,36,37,38,39);5-11,13,15-17,19H,12,14,18H2,1-4H3,(H,36,37,38,39,40)/b2*9-6+;10-7+;9-6+.

What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2679.87 g/mol, XLogP of 19.69, 50 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]methyl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161357364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).