6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C137H139F3N28O9 — CID 160854571

About 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160854571) has the molecular formula C137H139F3N28O9 and a molecular weight of 2378.80 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;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160854571
• Molecular Formula: C137H139F3N28O9
• Molecular Weight: 2378.80 g/mol
• Exact Mass: 2377.12
• IUPAC Name: 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCN(C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2-c2ccccc2)c1=O)CC.CN(C)CCc1ocnc1Cn1c(=O)c(C#CC(=O)N(C)C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5ncccc5CC(F)(F)F)c4n3)cc2)CC1.CN1CCCC(c2ccc(Nc3ncc4cc(C#Cc5nccn5C)c(=O)n(Cc5cccc(-c6ccncc6)c5)c4n3)cc2)C1
• InChI: InChI=1S/C37H34N8O.C36H36N6O2.C34H35F3N6O2.C30H34N8O4/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;1-3-41(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;1-42-16-13-24(14-17-42)23-7-10-28(11-8-23)40-33-39-21-27-19-25(9-12-29-6-2-3-18-45-29)32(44)43(31(27)41-33)22-30-26(5-4-15-38-30)20-34(35,36)37;1-36(2)14-12-26-25(33-19-41-26)18-38-28-21(15-20(29(38)40)5-10-27(39)37(3)4)16-32-30(35-28)34-22-6-8-23(9-7-22)42-24-11-13-31-17-24/h3,5-6,8-9,11-12,14-18,20-23,31H,4,7,19,24-25H2,1-2H3,(H,40,41,42);5-17,22-23,33,37H,3-4,19,21,24-25H2,1-2H3,(H,38,39,40);4-5,7-8,10-11,15,19,21,24,29H,2-3,6,13-14,16-18,20,22H2,1H3,(H,39,40,41);6-9,15-16,19,24,31H,11-14,17-18H2,1-4H3,(H,32,34,35)
• InChIKey: SJRVGXJVRGFNGN-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 393.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.80
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'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;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160854571) is 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

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;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CCN(C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2-c2ccccc2)c1=O)CC.CN(C)CCc1ocnc1Cn1c(=O)c(C#CC(=O)N(C)C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5ncccc5CC(F)(F)F)c4n3)cc2)CC1.CN1CCCC(c2ccc(Nc3ncc4cc(C#Cc5nccn5C)c(=O)n(Cc5cccc(-c6ccncc6)c5)c4n3)cc2)C1.

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;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SJRVGXJVRGFNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N8O.C36H36N6O2.C34H35F3N6O2.C30H34N8O4/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;1-3-41(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;1-42-16-13-24(14-17-42)23-7-10-28(11-8-23)40-33-39-21-27-19-25(9-12-29-6-2-3-18-45-29)32(44)43(31(27)41-33)22-30-26(5-4-15-38-30)20-34(35,36)37;1-36(2)14-12-26-25(33-19-41-26)18-38-28-21(15-20(29(38)40)5-10-27(39)37(3)4)16-32-30(35-28)34-22-6-8-23(9-7-22)42-24-11-13-31-17-24/h3,5-6,8-9,11-12,14-18,20-23,31H,4,7,19,24-25H2,1-2H3,(H,40,41,42);5-17,22-23,33,37H,3-4,19,21,24-25H2,1-2H3,(H,38,39,40);4-5,7-8,10-11,15,19,21,24,29H,2-3,6,13-14,16-18,20,22H2,1H3,(H,39,40,41);6-9,15-16,19,24,31H,11-14,17-18H2,1-4H3,(H,32,34,35).

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;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-[2-(diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2378.80 g/mol, XLogP of 18.82, 29 rotatable bonds, 6 hydrogen bond donors, and 36 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;3-[8-[[5-[2-(dimethylamino)ethyl]-1,3-oxazol-4-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;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;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160854571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).