8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

C126H128F3N33O6S — CID 159747671

About 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159747671) has the molecular formula C126H128F3N33O6S and a molecular weight of 2289.70 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159747671
• Molecular Formula: C126H128F3N33O6S
• Molecular Weight: 2289.70 g/mol
• Exact Mass: 2288.04
• IUPAC Name: 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CN(C)CCn1c(=O)c(-c2cnc(-c3ccccn3)nc2)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)ncn1-c1cccnc1.Cc1cc(-c2cccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(-c2nccs2)c1=O.O=c1c(-c2ccc(-c3ccccn3)cn2)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1C1CCOC1
• InChI: InChI=1S/C33H32N8OS.C32H35N9O.C31H29N7O3.C29H28F3N9O.CH4/c1-21-17-23(29-5-4-13-39(29)3)6-8-26(21)27-19-24-20-36-32(38-30(24)41(31(27)42)33-35-12-16-43-33)37-25-7-9-28(22(2)18-25)40-14-10-34-11-15-40;1-39(2)15-16-41-30-24(17-27(31(41)42)25-19-34-29(35-20-25)28-8-4-5-13-33-28)18-36-32(38-30)37-26-11-9-22(10-12-26)23-7-6-14-40(3)21-23;39-30-25(27-9-6-21(16-34-27)26-3-1-2-11-33-26)15-22-17-35-31(37-29(22)38(30)24-10-13-40-19-24)36-23-7-4-20(5-8-23)28-18-32-12-14-41-28;1-19-25(35-18-41(19)23-4-3-9-33-16-23)24-14-20-15-34-28(37-26(20)40(27(24)42)17-29(30,31)32)36-21-5-7-22(8-6-21)39-12-10-38(2)11-13-39;/h4-9,12-13,16-20,34H,10-11,14-15H2,1-3H3,(H,36,37,38);4-5,8-13,17-20,23H,6-7,14-16,21H2,1-3H3,(H,36,37,38);1-9,11,15-17,24,28,32H,10,12-14,18-19H2,(H,35,36,37);3-9,14-16,18H,10-13,17H2,1-2H3,(H,34,36,37);1H4
• InChIKey: NDGBRDDHDAVRSC-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 410.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.70
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

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-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (CID 159747671) is 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is C.CN(C)CCn1c(=O)c(-c2cnc(-c3ccccn3)nc2)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)ncn1-c1cccnc1.Cc1cc(-c2cccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(-c2nccs2)c1=O.O=c1c(-c2ccc(-c3ccccn3)cn2)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1C1CCOC1.

What is the InChIKey of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NDGBRDDHDAVRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8OS.C32H35N9O.C31H29N7O3.C29H28F3N9O.CH4/c1-21-17-23(29-5-4-13-39(29)3)6-8-26(21)27-19-24-20-36-32(38-30(24)41(31(27)42)33-35-12-16-43-33)37-25-7-9-28(22(2)18-25)40-14-10-34-11-15-40;1-39(2)15-16-41-30-24(17-27(31(41)42)25-19-34-29(35-20-25)28-8-4-5-13-33-28)18-36-32(38-30)37-26-11-9-22(10-12-26)23-7-6-14-40(3)21-23;39-30-25(27-9-6-21(16-34-27)26-3-1-2-11-33-26)15-22-17-35-31(37-29(22)38(30)24-10-13-40-19-24)36-23-7-4-20(5-8-23)28-18-32-12-14-41-28;1-19-25(35-18-41(19)23-4-3-9-33-16-23)24-14-20-15-34-28(37-26(20)40(27(24)42)17-29(30,31)32)36-21-5-7-22(8-6-21)39-12-10-38(2)11-13-39;/h4-9,12-13,16-20,34H,10-11,14-15H2,1-3H3,(H,36,37,38);4-5,8-13,17-20,23H,6-7,14-16,21H2,1-3H3,(H,36,37,38);1-9,11,15-17,24,28,32H,10,12-14,18-19H2,(H,35,36,37);3-9,14-16,18H,10-13,17H2,1-2H3,(H,34,36,37);1H4.

What are the key properties of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?

8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2289.70 g/mol, XLogP of 19.43, 26 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159747671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).