8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C131H140FN31O6S4 — CID 159460697

About 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159460697) has the molecular formula C131H140FN31O6S4 and a molecular weight of 2392.04 g/mol. Its IUPAC name is 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159460697
• Molecular Formula: C131H140FN31O6S4
• Molecular Weight: 2392.04 g/mol
• Exact Mass: 2390.05
• IUPAC Name: 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O.CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.Cc1cc(Cn2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc32)c(-c2nccs2)s1.Cc1scnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccn2C2CCOCC2)c1=O
• InChI: InChI=1S/C36H38N8O.C33H41N7O2.C31H33FN8O2S.C31H28N8OS3/c1-25(26-9-4-3-5-10-26)33-21-27-22-37-36(40-29-16-14-28(15-17-29)39-30-11-8-20-42(2)23-30)41-34(27)43(35(33)45)24-32-18-19-38-44(32)31-12-6-7-13-31;1-38-17-4-3-5-29(38)28-19-24-20-35-33(36-25-8-10-26(11-9-25)39(2)27-12-15-34-16-13-27)37-31(24)40(32(28)41)21-23-14-18-42-30(23)22-6-7-22;1-20-28(35-19-43-20)25-15-21-17-34-31(36-22-4-5-27(26(32)16-22)38-11-8-33-9-12-38)37-29(21)40(30(25)41)18-24-3-2-10-39(24)23-6-13-42-14-7-23;1-19-13-22(27(43-19)29-34-10-12-42-29)18-39-28-21(14-25(30(39)40)36-24-3-2-8-32-16-24)15-35-31(38-28)37-23-6-4-20(5-7-23)26-17-33-9-11-41-26/h3-5,9-10,12,14-19,21-22,30,39H,1,6-8,11,13,20,23-24H2,2H3,(H,37,40,41);8-11,14,18-20,22,27,29,34H,3-7,12-13,15-17,21H2,1-2H3,(H,35,36,37);2-5,10,15-17,19,23,33H,6-9,11-14,18H2,1H3,(H,34,36,37);2-8,10,12-16,26,33,36H,9,11,17-18H2,1H3,(H,35,37,38)
• InChIKey: LUOCVGHHSOJICW-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 396.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2392.04
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

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-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159460697) is 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O.CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.Cc1cc(Cn2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc32)c(-c2nccs2)s1.Cc1scnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccn2C2CCOCC2)c1=O.

What is the InChIKey of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LUOCVGHHSOJICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N8O.C33H41N7O2.C31H33FN8O2S.C31H28N8OS3/c1-25(26-9-4-3-5-10-26)33-21-27-22-37-36(40-29-16-14-28(15-17-29)39-30-11-8-20-42(2)23-30)41-34(27)43(35(33)45)24-32-18-19-38-44(32)31-12-6-7-13-31;1-38-17-4-3-5-29(38)28-19-24-20-35-33(36-25-8-10-26(11-9-25)39(2)27-12-15-34-16-13-27)37-31(24)40(32(28)41)21-23-14-18-42-30(23)22-6-7-22;1-20-28(35-19-43-20)25-15-21-17-34-31(36-22-4-5-27(26(32)16-22)38-11-8-33-9-12-38)37-29(21)40(30(25)41)18-24-3-2-10-39(24)23-6-13-42-14-7-23;1-19-13-22(27(43-19)29-34-10-12-42-29)18-39-28-21(14-25(30(39)40)36-24-3-2-8-32-16-24)15-35-31(38-28)37-23-6-4-20(5-7-23)26-17-33-9-11-41-26/h3-5,9-10,12,14-19,21-22,30,39H,1,6-8,11,13,20,23-24H2,2H3,(H,37,40,41);8-11,14,18-20,22,27,29,34H,3-7,12-13,15-17,21H2,1-2H3,(H,35,36,37);2-5,10,15-17,19,23,33H,6-9,11-14,18H2,1H3,(H,34,36,37);2-8,10,12-16,26,33,36H,9,11,17-18H2,1H3,(H,35,37,38).

What are the key properties of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2392.04 g/mol, XLogP of 23.08, 32 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).