8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

C130H137N29O5S — CID 158246602

About 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158246602) has the molecular formula C130H137N29O5S and a molecular weight of 2217.79 g/mol. Its IUPAC name is 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158246602
• Molecular Formula: C130H137N29O5S
• Molecular Weight: 2217.79 g/mol
• Exact Mass: 2216.11
• IUPAC Name: 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc(NC(C)=O)nc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4ccccc34)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCN(C)CC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C36H34N6O.C33H34N8O2.C31H31N7O.C30H38N8OS/c1-3-42-34-28(24-37-36(39-34)38-29-15-17-30(18-16-29)41-21-19-40(2)20-22-41)23-33(35(42)43)27-13-11-26(12-14-27)32-10-6-8-25-7-4-5-9-31(25)32;1-4-41-31-26(21-35-33(38-31)37-27-10-12-28(13-11-27)40-17-15-39(3)16-18-40)19-29(32(41)43)24-7-5-23(6-8-24)25-9-14-30(34-20-25)36-22(2)42;1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-5-38-27-22(18-25(29(38)39)26-20(2)40-28(33-26)21-10-12-35(3)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(4)15-17-37/h4-18,23-24H,3,19-22H2,1-2H3,(H,37,38,39);5-14,19-21H,4,15-18H2,1-3H3,(H,34,36,42)(H,35,37,38);4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);6-9,18-19,21H,5,10-17H2,1-4H3,(H,31,32,34)
• InChIKey: GGEPWGACQYDSIW-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 336.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.79
LogP ≤ 5	21.37
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'}

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 158246602) is 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc(NC(C)=O)nc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4ccccc34)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCN(C)CC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GGEPWGACQYDSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O.C33H34N8O2.C31H31N7O.C30H38N8OS/c1-3-42-34-28(24-37-36(39-34)38-29-15-17-30(18-16-29)41-21-19-40(2)20-22-41)23-33(35(42)43)27-13-11-26(12-14-27)32-10-6-8-25-7-4-5-9-31(25)32;1-4-41-31-26(21-35-33(38-31)37-27-10-12-28(13-11-27)40-17-15-39(3)16-18-40)19-29(32(41)43)24-7-5-23(6-8-24)25-9-14-30(34-20-25)36-22(2)42;1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-5-38-27-22(18-25(29(38)39)26-20(2)40-28(33-26)21-10-12-35(3)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(4)15-17-37/h4-18,23-24H,3,19-22H2,1-2H3,(H,37,38,39);5-14,19-21H,4,15-18H2,1-3H3,(H,34,36,42)(H,35,37,38);4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);6-9,18-19,21H,5,10-17H2,1-4H3,(H,31,32,34).

What are the key properties of 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2217.79 g/mol, XLogP of 21.37, 25 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).