6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C144H146F3N27O6S — CID 159343912

About 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 159343912) has the molecular formula C144H146F3N27O6S and a molecular weight of 2440.00 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 159343912
• Molecular Formula: C144H146F3N27O6S
• Molecular Weight: 2440.00 g/mol
• Exact Mass: 2438.16
• IUPAC Name: 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: CCN(C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2-c2ccccc2)c1=O)CC.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5ccccc5CC(F)(F)F)c4n3)cc2)CC1.CN1CCCC(c2ccc(Nc3ncc4cc(C#Cc5nccn5C)c(=O)n(Cc5cccc(-c6ccncc6)c5)c4n3)cc2)C1.Cc1ccccc1C#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ncccc2-c2nccs2)c1=O.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C37H34N8O.C36H32N8OS.C36H36N6O2.C35H36F3N5O2.4H2/c1-43-19-4-7-31(25-43)27-8-11-33(12-9-27)41-37-40-23-32-22-30(10-13-34-39-18-20-44(34)2)36(46)45(35(32)42-37)24-26-5-3-6-29(21-26)28-14-16-38-17-15-28;1-25-6-3-4-7-26(25)9-10-27-22-28-23-39-36(40-29-11-13-30(14-12-29)43-19-17-42(2)18-20-43)41-33(28)44(35(27)45)24-32-31(8-5-15-37-32)34-38-16-21-46-34;1-3-41(4-2)20-18-28-22-30-23-38-36(39-31-16-14-27(15-17-31)33-24-37-19-21-44-33)40-34(30)42(35(28)43)25-29-12-8-9-13-32(29)26-10-6-5-7-11-26;1-42-17-15-25(16-18-42)24-9-12-30(13-10-24)40-34-39-22-29-20-26(11-14-31-8-4-5-19-45-31)33(44)43(32(29)41-34)23-28-7-3-2-6-27(28)21-35(36,37)38;;;;/h3,5-6,8-9,11-12,14-18,20-23,31H,4,7,19,24-25H2,1-2H3,(H,40,41,42);3-8,11-16,21-23H,17-20,24H2,1-2H3,(H,39,40,41);5-17,22-23,33,37H,3-4,19,21,24-25H2,1-2H3,(H,38,39,40);2-3,6-7,9-10,12-13,20,22,25,31H,4-5,8,15-19,21,23H2,1H3,(H,39,40,41);4*1H
• InChIKey: LGMBYERMNKYPKP-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 342.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.00
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 159343912) is 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is CCN(C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2-c2ccccc2)c1=O)CC.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5ccccc5CC(F)(F)F)c4n3)cc2)CC1.CN1CCCC(c2ccc(Nc3ncc4cc(C#Cc5nccn5C)c(=O)n(Cc5cccc(-c6ccncc6)c5)c4n3)cc2)C1.Cc1ccccc1C#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ncccc2-c2nccs2)c1=O.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is LGMBYERMNKYPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N8O.C36H32N8OS.C36H36N6O2.C35H36F3N5O2.4H2/c1-43-19-4-7-31(25-43)27-8-11-33(12-9-27)41-37-40-23-32-22-30(10-13-34-39-18-20-44(34)2)36(46)45(35(32)42-37)24-26-5-3-6-29(21-26)28-14-16-38-17-15-28;1-25-6-3-4-7-26(25)9-10-27-22-28-23-39-36(40-29-11-13-30(14-12-29)43-19-17-42(2)18-20-43)41-33(28)44(35(27)45)24-32-31(8-5-15-37-32)34-38-16-21-46-34;1-3-41(4-2)20-18-28-22-30-23-38-36(39-31-16-14-27(15-17-31)33-24-37-19-21-44-33)40-34(30)42(35(28)43)25-29-12-8-9-13-32(29)26-10-6-5-7-11-26;1-42-17-15-25(16-18-42)24-9-12-30(13-10-24)40-34-39-22-29-20-26(11-14-31-8-4-5-19-45-31)33(44)43(32(29)41-34)23-28-7-3-2-6-27(28)21-35(36,37)38;;;;/h3,5-6,8-9,11-12,14-18,20-23,31H,4,7,19,24-25H2,1-2H3,(H,40,41,42);3-8,11-16,21-23H,17-20,24H2,1-2H3,(H,39,40,41);5-17,22-23,33,37H,3-4,19,21,24-25H2,1-2H3,(H,38,39,40);2-3,6-7,9-10,12-13,20,22,25,31H,4-5,8,15-19,21,23H2,1H3,(H,39,40,41);4*1H.

What are the key properties of 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2440.00 g/mol, XLogP of 24.11, 26 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 159343912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).