6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one

C144H141Cl2F5N26O9S — CID 162193253

About 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162193253) has the molecular formula C144H141Cl2F5N26O9S and a molecular weight of 2577.85 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162193253
• Molecular Formula: C144H141Cl2F5N26O9S
• Molecular Weight: 2577.85 g/mol
• Exact Mass: 2575.04
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CN(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CSc3ccccc3C2=O)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3C(=O)Cc4ccccc4C3(C)C)c2=O)c(Cl)c1
• InChI: InChI=1S/C38H43FN6O3.C37H34ClF3N6O2.C36H34FN7O2.C33H30ClN7O2S/c1-22-20-44(21-23(2)41-22)32-11-10-28(18-31(32)39)42-37-40-19-27-16-30(24(3)25-12-14-48-15-13-25)36(47)45(35(27)43-37)33-17-26-8-6-7-9-29(26)34(46)38(33,4)5;1-21-8-10-25(29(38)16-21)26-17-23-20-43-35(44-24-9-11-30(28(19-24)37(39,40)41)46-14-12-42-13-15-46)45-33(23)47(34(26)49)32-31(48)18-22-6-4-5-7-27(22)36(32,2)3;1-22-20-38-15-16-43(22)31-14-13-27(19-29(31)37)40-36-39-21-26-17-28(23(2)24-9-5-4-6-10-24)34(45)44(33(26)41-36)32-18-25-11-7-8-12-30(25)42(3)35(32)46;1-39(23-7-3-2-4-8-23)27-17-21-19-36-33(37-22-11-12-26(25(34)18-22)40-15-13-35-14-16-40)38-31(21)41(32(27)43)28-20-44-29-10-6-5-9-24(29)30(28)42/h6-11,16,18-19,22-23,25,33,41H,3,12-15,17,20-21H2,1-2,4-5H3,(H,40,42,43);4-11,16-17,19-20,32,42H,12-15,18H2,1-3H3,(H,43,44,45);4-14,17,19,21-22,32,38H,2,15-16,18,20H2,1,3H3,(H,39,40,41);2-12,17-19,28,35H,13-16,20H2,1H3,(H,36,37,38)/t22-,23+,33?
• InChIKey: ZQPFXPABMHKFLE-KCAFWASDSA-N
• XLogP: 24.73
• TPSA: 384.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2577.85
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one (CID 162193253) is 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CN(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CSc3ccccc3C2=O)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3C(=O)Cc4ccccc4C3(C)C)c2=O)c(Cl)c1.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ZQPFXPABMHKFLE-KCAFWASDSA-N. The full InChI is InChI=1S/C38H43FN6O3.C37H34ClF3N6O2.C36H34FN7O2.C33H30ClN7O2S/c1-22-20-44(21-23(2)41-22)32-11-10-28(18-31(32)39)42-37-40-19-27-16-30(24(3)25-12-14-48-15-13-25)36(47)45(35(27)43-37)33-17-26-8-6-7-9-29(26)34(46)38(33,4)5;1-21-8-10-25(29(38)16-21)26-17-23-20-43-35(44-24-9-11-30(28(19-24)37(39,40)41)46-14-12-42-13-15-46)45-33(23)47(34(26)49)32-31(48)18-22-6-4-5-7-27(22)36(32,2)3;1-22-20-38-15-16-43(22)31-14-13-27(19-29(31)37)40-36-39-21-26-17-28(23(2)24-9-5-4-6-10-24)34(45)44(33(26)41-36)32-18-25-11-7-8-12-30(25)42(3)35(32)46;1-39(23-7-3-2-4-8-23)27-17-21-19-36-33(37-22-11-12-26(25(34)18-22)40-15-13-35-14-16-40)38-31(21)41(32(27)43)28-20-44-29-10-6-5-9-24(29)30(28)42/h6-11,16,18-19,22-23,25,33,41H,3,12-15,17,20-21H2,1-2,4-5H3,(H,40,42,43);4-11,16-17,19-20,32,42H,12-15,18H2,1-3H3,(H,43,44,45);4-14,17,19,21-22,32,38H,2,15-16,18,20H2,1,3H3,(H,39,40,41);2-12,17-19,28,35H,13-16,20H2,1H3,(H,36,37,38)/t22-,23+,33?;;;.

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2577.85 g/mol, XLogP of 24.73, 23 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(1,1-dimethyl-3-oxo-2,4-dihydronaphthalen-2-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162193253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).