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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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

C137H137Cl2F4N25O8S — CID 160803730

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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 (PubChem CID 160803730) has the molecular formula C137H137Cl2F4N25O8S and a molecular weight of 2440.73 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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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.

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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
• PubChem CID: 160803730
• Molecular Formula: C137H137Cl2F4N25O8S
• Molecular Weight: 2440.73 g/mol
• Exact Mass: 2438.01
• 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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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
• 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=C1C=Cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2N1C1C(=O)c2ccccc2NC1(C)C.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.C33H30ClN7O2S.C29H30N6O/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;1-39(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;1-18-8-9-21-17-31-28(32-22-12-10-19(11-13-22)20-14-15-30-16-20)33-27(21)35(18)26-25(36)23-6-4-5-7-24(23)34-29(26,2)3/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);2-12,17-19,28,35H,13-16,20H2,1H3,(H,36,37,38);4-13,17,20,26,30,34H,1,14-16H2,2-3H3,(H,31,32,33)/t22-,23+,33?
• InChIKey: SDKKNQWHFWNXSP-KCAFWASDSA-N
• XLogP: 24.54
• TPSA: 371.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2440.73
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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?

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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 (CID 160803730) 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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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.

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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?

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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 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=C1C=Cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2N1C1C(=O)c2ccccc2NC1(C)C.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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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?

The InChIKey is SDKKNQWHFWNXSP-KCAFWASDSA-N. The full InChI is InChI=1S/C38H43FN6O3.C37H34ClF3N6O2.C33H30ClN7O2S.C29H30N6O/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;1-39(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;1-18-8-9-21-17-31-28(32-22-12-10-19(11-13-22)20-14-15-30-16-20)33-27(21)35(18)26-25(36)23-6-4-5-7-24(23)34-29(26,2)3/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);2-12,17-19,28,35H,13-16,20H2,1H3,(H,36,37,38);4-13,17,20,26,30,34H,1,14-16H2,2-3H3,(H,31,32,33)/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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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?

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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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 has a molecular weight of 2440.73 g/mol, XLogP of 24.54, 21 rotatable bonds, 9 hydrogen bond donors, and 34 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;2,2-dimethyl-3-[7-methylidene-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-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 is sourced from PubChem (CID 160803730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).