8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C120H122ClF3N26O15S4 — CID 159107244

About 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159107244) has the molecular formula C120H122ClF3N26O15S4 and a molecular weight of 2389.18 g/mol. Its IUPAC name is 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159107244
• Molecular Formula: C120H122ClF3N26O15S4
• Molecular Weight: 2389.18 g/mol
• Exact Mass: 2386.81
• IUPAC Name: 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccn2S(=O)(=O)c2ccncc2)c1=O.COCCS(=O)c1ccoc1Cn1c(=O)c(-c2ccc(C)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccnn1S(=O)(=O)c1ccccc1.O=c1ccc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1Cc1ccoc1S(=O)(=O)C1CCCC1
• InChI: InChI=1S/C33H32ClF3N6O4S.C31H31N7O3S.C29H30N8O4S.C27H29N5O4S/c1-20-3-5-23(26(34)15-20)24-16-21-18-39-32(40-22-4-6-27(25(17-22)33(35,36)37)42-10-8-38-9-11-42)41-30(21)43(31(24)44)19-28-29(7-12-47-28)48(45)14-13-46-2;39-30-28(23-6-7-23)18-24-19-33-31(35-25-10-8-21(9-11-25)22-12-15-32-16-13-22)36-29(24)37(30)20-26-14-17-34-38(26)42(40,41)27-4-2-1-3-5-27;1-3-41-25-16-22-17-32-29(33-23-6-4-20(5-7-23)21-10-14-35(2)18-21)34-27(22)36(28(25)38)19-26-31-13-15-37(26)42(39,40)24-8-11-30-12-9-24;33-24-10-7-20-16-29-27(30-22-8-5-18(6-9-22)19-11-13-28-15-19)31-25(20)32(24)17-21-12-14-36-26(21)37(34,35)23-3-1-2-4-23/h3-7,12,15-18,38H,8-11,13-14,19H2,1-2H3,(H,39,40,41);1-5,8-11,14,17-19,22-23,32H,6-7,12-13,15-16,20H2,(H,33,35,36);4-9,11-13,15-17,21H,3,10,14,18-19H2,1-2H3,(H,32,33,34);5-10,12,14,16,19,23,28H,1-4,11,13,15,17H2,(H,29,30,31)
• InChIKey: KEASLGZFKCAHML-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 494.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.18
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	7
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-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159107244) is 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccn2S(=O)(=O)c2ccncc2)c1=O.COCCS(=O)c1ccoc1Cn1c(=O)c(-c2ccc(C)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccnn1S(=O)(=O)c1ccccc1.O=c1ccc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1Cc1ccoc1S(=O)(=O)C1CCCC1.

What is the InChIKey of 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KEASLGZFKCAHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClF3N6O4S.C31H31N7O3S.C29H30N8O4S.C27H29N5O4S/c1-20-3-5-23(26(34)15-20)24-16-21-18-39-32(40-22-4-6-27(25(17-22)33(35,36)37)42-10-8-38-9-11-42)41-30(21)43(31(24)44)19-28-29(7-12-47-28)48(45)14-13-46-2;39-30-28(23-6-7-23)18-24-19-33-31(35-25-10-8-21(9-11-25)22-12-15-32-16-13-22)36-29(24)37(30)20-26-14-17-34-38(26)42(40,41)27-4-2-1-3-5-27;1-3-41-25-16-22-17-32-29(33-23-6-4-20(5-7-23)21-10-14-35(2)18-21)34-27(22)36(28(25)38)19-26-31-13-15-37(26)42(39,40)24-8-11-30-12-9-24;33-24-10-7-20-16-29-27(30-22-8-5-18(6-9-22)19-11-13-28-15-19)31-25(20)32(24)17-21-12-14-36-26(21)37(34,35)23-3-1-2-4-23/h3-7,12,15-18,38H,8-11,13-14,19H2,1-2H3,(H,39,40,41);1-5,8-11,14,17-19,22-23,32H,6-7,12-13,15-16,20H2,(H,33,35,36);4-9,11-13,15-17,21H,3,10,14,18-19H2,1-2H3,(H,32,33,34);5-10,12,14,16,19,23,28H,1-4,11,13,15,17H2,(H,29,30,31).

What are the key properties of 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2389.18 g/mol, XLogP of 17.55, 34 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfinyl)furan-2-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfonylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159107244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).