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

C151H164FN35O8S3 — CID 157073804

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

8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157073804) has the molecular formula C151H164FN35O8S3 and a molecular weight of 2712.41 g/mol. Its IUPAC name is 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157073804
• Molecular Formula: C151H164FN35O8S3
• Molecular Weight: 2712.41 g/mol
• Exact Mass: 2710.26
• IUPAC Name: 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2cc(C)sc2-c2nccs2)c1=O.C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O)C1CC1.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cccn5C5CCOCC5)c4n3)cc2)C1.O=c1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1Cc1ccsc1-c1ccncc1
• InChI: InChI=1S/C33H38N8O.C32H39N7O2.C30H29N7OS2.C29H34N6O3.C27H24FN7OS/c1-22(23-9-10-23)30-18-24-19-35-33(37-25-11-13-26(14-12-25)39(2)28-8-5-16-34-20-28)38-31(24)40(32(30)42)21-29-15-17-36-41(29)27-6-3-4-7-27;1-37-14-2-4-26(20-37)34-24-8-10-25(11-9-24)35-32-33-19-23-18-29(22-6-7-22)31(40)39(30(23)36-32)21-28-5-3-15-38(28)27-12-16-41-17-13-27;1-4-20-16-21-17-33-30(34-23-5-7-24(8-6-23)36(3)25-9-11-31-12-10-25)35-27(21)37(29(20)38)18-22-15-19(2)40-26(22)28-32-13-14-39-28;1-3-37-25-16-21-17-30-29(32-23-8-6-22(7-9-23)31-24-10-13-34(2)14-11-24)33-27(21)35(28(25)36)18-20-12-15-38-26(20)19-4-5-19;28-22-15-21(2-3-23(22)34-12-10-30-11-13-34)32-27-31-16-19-1-4-24(36)35(26(19)33-27)17-20-7-14-37-25(20)18-5-8-29-9-6-18/h6,11-15,17-19,23,28,34H,1,3-5,7-10,16,20-21H2,2H3,(H,35,37,38);3,5,8-11,15,18-19,22,26-27,34H,2,4,6-7,12-14,16-17,20-21H2,1H3,(H,33,35,36);1,5-8,13-17,25,31H,9-12,18H2,2-3H3,(H,33,34,35);6-9,12,15-17,19,24,31H,3-5,10-11,13-14,18H2,1-2H3,(H,30,32,33);1-9,14-16,30H,10-13,17H2,(H,31,32,33)
• InChIKey: ACSTXDSZROEHQV-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 455.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 39
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2712.41
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

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

The IUPAC name of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 157073804) is 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2cc(C)sc2-c2nccs2)c1=O.C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O)C1CC1.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cccn5C5CCOCC5)c4n3)cc2)C1.O=c1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1Cc1ccsc1-c1ccncc1.

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

The InChIKey is ACSTXDSZROEHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O.C32H39N7O2.C30H29N7OS2.C29H34N6O3.C27H24FN7OS/c1-22(23-9-10-23)30-18-24-19-35-33(37-25-11-13-26(14-12-25)39(2)28-8-5-16-34-20-28)38-31(24)40(32(30)42)21-29-15-17-36-41(29)27-6-3-4-7-27;1-37-14-2-4-26(20-37)34-24-8-10-25(11-9-24)35-32-33-19-23-18-29(22-6-7-22)31(40)39(30(23)36-32)21-28-5-3-15-38(28)27-12-16-41-17-13-27;1-4-20-16-21-17-33-30(34-23-5-7-24(8-6-23)36(3)25-9-11-31-12-10-25)35-27(21)37(29(20)38)18-22-15-19(2)40-26(22)28-32-13-14-39-28;1-3-37-25-16-21-17-30-29(32-23-8-6-22(7-9-23)31-24-10-13-34(2)14-11-24)33-27(21)35(28(25)36)18-20-12-15-38-26(20)19-4-5-19;28-22-15-21(2-3-23(22)34-12-10-30-11-13-34)32-27-31-16-19-1-4-24(36)35(26(19)33-27)17-20-7-14-37-25(20)18-5-8-29-9-6-18/h6,11-15,17-19,23,28,34H,1,3-5,7-10,16,20-21H2,2H3,(H,35,37,38);3,5,8-11,15,18-19,22,26-27,34H,2,4,6-7,12-14,16-17,20-21H2,1H3,(H,33,35,36);1,5-8,13-17,25,31H,9-12,18H2,2-3H3,(H,33,34,35);6-9,12,15-17,19,24,31H,3-5,10-11,13-14,18H2,1-2H3,(H,30,32,33);1-9,14-16,30H,10-13,17H2,(H,31,32,33).

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

8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2712.41 g/mol, XLogP of 25.00, 39 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157073804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).