6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C129H131N27O6 — CID 160749247

About 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160749247) has the molecular formula C129H131N27O6 and a molecular weight of 2155.65 g/mol. Its IUPAC name is 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160749247
• Molecular Formula: C129H131N27O6
• Molecular Weight: 2155.65 g/mol
• Exact Mass: 2154.08
• IUPAC Name: 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccccc2-c2ccncc2)c1=O.CC(C)n1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.COCCn1cccc1Cn1c(=O)c(C#CC2CCCCO2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.O=c1c(C#CC2CCNCC2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1Cc1cnccc1-c1ccccc1
• InChI: InChI=1S/C36H35N7O.C33H39N7O3.C32H26N6O.C28H31N7O/c44-35-28(7-6-25-12-16-37-17-13-25)20-30-23-40-36(41-32-10-8-26(9-11-32)29-14-18-38-21-29)42-34(30)43(35)24-31-22-39-19-15-33(31)27-4-2-1-3-5-27;1-37-15-17-39(18-16-37)28-11-9-27(10-12-28)35-33-34-23-26-22-25(8-13-30-7-3-4-20-43-30)32(41)40(31(26)36-33)24-29-6-5-14-38(29)19-21-42-2;1-2-22-19-27-20-35-32(36-28-9-7-23(8-10-28)24-11-15-33-16-12-24)37-30(27)38(31(22)39)21-26-5-3-4-6-29(26)25-13-17-34-18-14-25;1-19(2)35-26-23(17-22(27(35)36)7-10-25-29-13-16-34(25)4)18-30-28(32-26)31-24-8-5-20(6-9-24)21-11-14-33(3)15-12-21/h1-5,8-11,15,19-20,22-23,25,29,37-38H,12-14,16-18,21,24H2,(H,40,41,42);5-6,9-12,14,22-23,30H,3-4,7,15-21,24H2,1-2H3,(H,34,35,36);1,3-11,13-14,17-20,33H,12,15-16,21H2,(H,35,36,37);5-6,8-9,13,16-19,21H,11-12,14-15H2,1-4H3,(H,30,31,32)
• InChIKey: RWPFKQVOQBADMQ-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 352.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2155.65
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 160749247) is 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccccc2-c2ccncc2)c1=O.CC(C)n1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.COCCn1cccc1Cn1c(=O)c(C#CC2CCCCO2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.O=c1c(C#CC2CCNCC2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1Cc1cnccc1-c1ccccc1.

What is the InChIKey of 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RWPFKQVOQBADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N7O.C33H39N7O3.C32H26N6O.C28H31N7O/c44-35-28(7-6-25-12-16-37-17-13-25)20-30-23-40-36(41-32-10-8-26(9-11-32)29-14-18-38-21-29)42-34(30)43(35)24-31-22-39-19-15-33(31)27-4-2-1-3-5-27;1-37-15-17-39(18-16-37)28-11-9-27(10-12-28)35-33-34-23-26-22-25(8-13-30-7-3-4-20-43-30)32(41)40(31(26)36-33)24-29-6-5-14-38(29)19-21-42-2;1-2-22-19-27-20-35-32(36-28-9-7-23(8-10-28)24-11-15-33-16-12-24)37-30(27)38(31(22)39)21-26-5-3-4-6-29(26)25-13-17-34-18-14-25;1-19(2)35-26-23(17-22(27(35)36)7-10-25-29-13-16-34(25)4)18-30-28(32-26)31-24-8-5-20(6-9-24)21-11-14-33(3)15-12-21/h1-5,8-11,15,19-20,22-23,25,29,37-38H,12-14,16-18,21,24H2,(H,40,41,42);5-6,9-12,14,22-23,30H,3-4,7,15-21,24H2,1-2H3,(H,34,35,36);1,3-11,13-14,17-20,33H,12,15-16,21H2,(H,35,36,37);5-6,8-9,13,16-19,21H,11-12,14-15H2,1-4H3,(H,30,31,32).

What are the key properties of 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2155.65 g/mol, XLogP of 17.84, 24 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethynyl-8-[(2-pyridin-4-ylphenyl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[(4-phenyl-3-pyridinyl)methyl]-6-(2-piperidin-4-ylethynyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160749247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).