8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C138H148FN29O9S3 — CID 158096054

About 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158096054) has the molecular formula C138H148FN29O9S3 and a molecular weight of 2472.09 g/mol. Its IUPAC name is 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158096054
• Molecular Formula: C138H148FN29O9S3
• Molecular Weight: 2472.09 g/mol
• Exact Mass: 2470.12
• IUPAC Name: 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2CNc3ccccc3C2)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5CC(=O)c6ccccc6C5)c4n3)cc2)CC1.CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O
• InChI: InChI=1S/C36H45N7O3S.C36H37N7O2.C36H37N7O.C30H29FN8O3S2/c1-36(2)32(22-24-9-5-6-11-31(24)47(36,45)46)43-33-25(21-29(34(43)44)30-10-7-8-20-41(30)3)23-38-35(40-33)39-26-12-14-27(15-13-26)42(4)28-16-18-37-19-17-28;1-41-18-16-28(17-19-41)38-26-12-14-27(15-13-26)39-36-37-23-25-21-32(42(2)29-9-4-3-5-10-29)35(45)43(34(25)40-36)30-20-24-8-6-7-11-31(24)33(44)22-30;1-24(25-9-4-3-5-10-25)32-20-27-21-38-36(40-29-16-14-28(15-17-29)39-30-12-8-18-42(2)23-30)41-34(27)43(35(32)44)31-19-26-11-6-7-13-33(26)37-22-31;1-18-27(34-17-43-18)22-13-20-16-33-30(35-21-7-8-25(23(31)15-21)38-11-9-32-10-12-38)36-28(20)39(29(22)40)26-14-19-5-3-4-6-24(19)37(2)44(26,41)42/h5-6,9,11-15,21,23,28,30,32,37H,7-8,10,16-20,22H2,1-4H3,(H,38,39,40);3-15,21,23,28,30,38H,16-20,22H2,1-2H3,(H,37,39,40);3-7,9-11,13-17,20-21,30-31,37,39H,1,8,12,18-19,22-23H2,2H3,(H,38,40,41);3-8,13,15-17,26,32H,9-12,14H2,1-2H3,(H,33,35,36)
• InChIKey: FORGUVGJQPJGFH-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 420.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.09
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158096054) is 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2CNc3ccccc3C2)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5CC(=O)c6ccccc6C5)c4n3)cc2)CC1.CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O.

What is the InChIKey of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FORGUVGJQPJGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N7O3S.C36H37N7O2.C36H37N7O.C30H29FN8O3S2/c1-36(2)32(22-24-9-5-6-11-31(24)47(36,45)46)43-33-25(21-29(34(43)44)30-10-7-8-20-41(30)3)23-38-35(40-33)39-26-12-14-27(15-13-26)42(4)28-16-18-37-19-17-28;1-41-18-16-28(17-19-41)38-26-12-14-27(15-13-26)39-36-37-23-25-21-32(42(2)29-9-4-3-5-10-29)35(45)43(34(25)40-36)30-20-24-8-6-7-11-31(24)33(44)22-30;1-24(25-9-4-3-5-10-25)32-20-27-21-38-36(40-29-16-14-28(15-17-29)39-30-12-8-18-42(2)23-30)41-34(27)43(35(32)44)31-19-26-11-6-7-13-33(26)37-22-31;1-18-27(34-17-43-18)22-13-20-16-33-30(35-21-7-8-25(23(31)15-21)38-11-9-32-10-12-38)36-28(20)39(29(22)40)26-14-19-5-3-4-6-24(19)37(2)44(26,41)42/h5-6,9,11-15,21,23,28,30,32,37H,7-8,10,16-20,22H2,1-4H3,(H,38,39,40);3-15,21,23,28,30,38H,16-20,22H2,1-2H3,(H,37,39,40);3-7,9-11,13-17,20-21,30-31,37,39H,1,8,12,18-19,22-23H2,2H3,(H,38,40,41);3-8,13,15-17,26,32H,9-12,14H2,1-2H3,(H,33,35,36).

What are the key properties of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2472.09 g/mol, XLogP of 21.76, 25 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158096054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).