6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

C145H148Cl5F7N30O11S5 — CID 161333086

About 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161333086) has the molecular formula C145H148Cl5F7N30O11S5 and a molecular weight of 2957.56 g/mol. Its IUPAC name is 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161333086
• Molecular Formula: C145H148Cl5F7N30O11S5
• Molecular Weight: 2957.56 g/mol
• Exact Mass: 2952.89
• IUPAC Name: 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(C)(=O)c1cccc(Cl)c1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(CC)c1=O.CCn1c(=O)c(-c2ccc(S(=O)C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21.CCn1c(=O)c(-c2ccc(S(C)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(S(C)=O)cc5Cl)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1
• InChI: InChI=1S/C33H30ClF3N6O2S.C31H35ClN6O2S.C28H31ClN6O2S.C27H26ClF3N6O3S.C26H26ClFN6O2S/c1-41-13-15-42(16-14-41)24-9-7-23(8-10-24)39-32-38-19-22-17-27(26-12-11-25(46(2)45)18-29(26)34)31(44)43(30(22)40-32)20-21-5-3-4-6-28(21)33(35,36)37;1-3-38-29-21(18-27(30(38)39)26-13-12-25(19-28(26)32)41(40)24-6-4-5-7-24)20-33-31(35-29)34-22-8-10-23(11-9-22)37-16-14-36(2)15-17-37;1-5-35-26-19(17-22(27(35)36)25-23(29)7-6-8-24(25)38(3,4)37)18-30-28(32-26)31-20-9-11-21(12-10-20)34-15-13-33(2)14-16-34;1-3-37-24-16(12-20(25(37)38)19-6-5-18(14-22(19)28)41(2,39)40)15-33-26(35-24)34-17-4-7-23(21(13-17)27(29,30)31)36-10-8-32-9-11-36;1-3-34-24-16(12-20(25(34)35)19-6-5-18(37(2)36)14-21(19)27)15-30-26(32-24)31-17-4-7-23(22(28)13-17)33-10-8-29-9-11-33/h3-12,17-19H,13-16,20H2,1-2H3,(H,38,39,40);8-13,18-20,24H,3-7,14-17H2,1-2H3,(H,33,34,35);6-12,17-18H,3,5,13-16H2,1-2,4H3,(H,30,31,32);4-7,12-15,32H,3,8-11H2,1-2H3,(H,33,34,35);4-7,12-15,29H,3,8-11H2,1-2H3,(H,30,31,32)
• InChIKey: VLRGCYHPJGNJTK-UHFFFAOYSA-N
• XLogP: 25.29
• TPSA: 451.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.56
LogP ≤ 5	25.29
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161333086) is 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is C=S(C)(=O)c1cccc(Cl)c1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(CC)c1=O.CCn1c(=O)c(-c2ccc(S(=O)C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21.CCn1c(=O)c(-c2ccc(S(C)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(S(C)=O)cc5Cl)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.

What is the InChIKey of 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is VLRGCYHPJGNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClF3N6O2S.C31H35ClN6O2S.C28H31ClN6O2S.C27H26ClF3N6O3S.C26H26ClFN6O2S/c1-41-13-15-42(16-14-41)24-9-7-23(8-10-24)39-32-38-19-22-17-27(26-12-11-25(46(2)45)18-29(26)34)31(44)43(30(22)40-32)20-21-5-3-4-6-28(21)33(35,36)37;1-3-38-29-21(18-27(30(38)39)26-13-12-25(19-28(26)32)41(40)24-6-4-5-7-24)20-33-31(35-29)34-22-8-10-23(11-9-22)37-16-14-36(2)15-17-37;1-5-35-26-19(17-22(27(35)36)25-23(29)7-6-8-24(25)38(3,4)37)18-30-28(32-26)31-20-9-11-21(12-10-20)34-15-13-33(2)14-16-34;1-3-37-24-16(12-20(25(37)38)19-6-5-18(14-22(19)28)41(2,39)40)15-33-26(35-24)34-17-4-7-23(21(13-17)27(29,30)31)36-10-8-32-9-11-36;1-3-34-24-16(12-20(25(34)35)19-6-5-18(37(2)36)14-21(19)27)15-30-26(32-24)31-17-4-7-23(22(28)13-17)33-10-8-29-9-11-33/h3-12,17-19H,13-16,20H2,1-2H3,(H,38,39,40);8-13,18-20,24H,3-7,14-17H2,1-2H3,(H,33,34,35);6-12,17-18H,3,5,13-16H2,1-2,4H3,(H,30,31,32);4-7,12-15,32H,3,8-11H2,1-2H3,(H,33,34,35);4-7,12-15,29H,3,8-11H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2957.56 g/mol, XLogP of 25.29, 32 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161333086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).