6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C128H143Cl4N29O17 — CID 159875366

About 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159875366) has the molecular formula C128H143Cl4N29O17 and a molecular weight of 2501.55 g/mol. Its IUPAC name is 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159875366
• Molecular Formula: C128H143Cl4N29O17
• Molecular Weight: 2501.55 g/mol
• Exact Mass: 2498.00
• IUPAC Name: 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccc(C5CCOCC5)cn4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cccnc4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccncc4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccncn4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1
• InChI: InChI=1S/C36H42ClN7O5.2C31H34ClN7O4.C30H33ClN8O4/c1-42(2)13-5-6-32(45)43-14-9-26(10-15-43)44-34-25(18-29(35(44)46)28-19-27(47-3)20-30(48-4)33(28)37)22-39-36(41-34)40-31-8-7-24(21-38-31)23-11-16-49-17-12-23;1-37(2)12-6-8-27(40)38-13-9-22(10-14-38)39-29-20(18-34-31(36-29)35-21-7-5-11-33-19-21)15-25(30(39)41)24-16-23(42-3)17-26(43-4)28(24)32;1-37(2)13-5-6-27(40)38-14-9-22(10-15-38)39-29-20(19-34-31(36-29)35-21-7-11-33-12-8-21)16-25(30(39)41)24-17-23(42-3)18-26(43-4)28(24)32;1-37(2)11-5-6-26(40)38-12-8-20(9-13-38)39-28-19(17-33-30(36-28)35-25-7-10-32-18-34-25)14-23(29(39)41)22-15-21(42-3)16-24(43-4)27(22)31/h5-8,18-23,26H,9-17H2,1-4H3,(H,38,39,40,41);5-8,11,15-19,22H,9-10,12-14H2,1-4H3,(H,34,35,36);5-8,11-12,16-19,22H,9-10,13-15H2,1-4H3,(H,33,34,35,36);5-7,10,14-18,20H,8-9,11-13H2,1-4H3,(H,32,33,34,35,36)/b6-5+;8-6+;2*6-5+
• InChIKey: NSVJWEBNTFEIBT-PWKFXQGZSA-N
• XLogP: 18.49
• TPSA: 480.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.55
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 159875366) is 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccc(C5CCOCC5)cn4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cccnc4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccncc4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccncn4)nc3n(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2=O)c1.

What is the InChIKey of 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NSVJWEBNTFEIBT-PWKFXQGZSA-N. The full InChI is InChI=1S/C36H42ClN7O5.2C31H34ClN7O4.C30H33ClN8O4/c1-42(2)13-5-6-32(45)43-14-9-26(10-15-43)44-34-25(18-29(35(44)46)28-19-27(47-3)20-30(48-4)33(28)37)22-39-36(41-34)40-31-8-7-24(21-38-31)23-11-16-49-17-12-23;1-37(2)12-6-8-27(40)38-13-9-22(10-14-38)39-29-20(18-34-31(36-29)35-21-7-5-11-33-19-21)15-25(30(39)41)24-16-23(42-3)17-26(43-4)28(24)32;1-37(2)13-5-6-27(40)38-14-9-22(10-15-38)39-29-20(19-34-31(36-29)35-21-7-11-33-12-8-21)16-25(30(39)41)24-17-23(42-3)18-26(43-4)28(24)32;1-37(2)11-5-6-26(40)38-12-8-20(9-13-38)39-28-19(17-33-30(36-28)35-25-7-10-32-18-34-25)14-23(29(39)41)22-15-21(42-3)16-24(43-4)27(22)31/h5-8,18-23,26H,9-17H2,1-4H3,(H,38,39,40,41);5-8,11,15-19,22H,9-10,12-14H2,1-4H3,(H,34,35,36);5-8,11-12,16-19,22H,9-10,13-15H2,1-4H3,(H,33,34,35,36);5-7,10,14-18,20H,8-9,11-13H2,1-4H3,(H,32,33,34,35,36)/b6-5+;8-6+;2*6-5+.

What are the key properties of 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2501.55 g/mol, XLogP of 18.49, 37 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-[[5-(oxan-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-3,5-dimethoxyphenyl)-8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(pyrimidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159875366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).