8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C140H144N24O12S4 — CID 158073245

About 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158073245) has the molecular formula C140H144N24O12S4 and a molecular weight of 2483.12 g/mol. Its IUPAC name is 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158073245
• Molecular Formula: C140H144N24O12S4
• Molecular Weight: 2483.12 g/mol
• Exact Mass: 2481.03
• IUPAC Name: 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6N(C)S5(=O)=O)c4n3)cc2)C1.CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O
• InChI: InChI=1S/C36H37N5O4S.C35H34N6O3S.C35H38N6O2S.C34H35N7O3S/c1-23-9-4-6-12-29(23)45-30-19-27-22-38-35(39-28-16-14-24(15-17-28)26-11-8-18-37-21-26)40-33(27)41(34(30)42)32-20-25-10-5-7-13-31(25)46(43,44)36(32,2)3;1-23(24-8-4-3-5-9-24)30-20-28-22-37-35(38-29-14-12-25(13-15-29)26-16-18-36-19-17-26)39-33(28)41(34(30)42)32-21-27-10-6-7-11-31(27)45(43,44)40(32)2;1-35(2)31(30(42)26-8-4-5-10-29(26)44-35)41-32-24(20-27(33(41)43)28-9-6-7-19-40(28)3)21-37-34(39-32)38-25-13-11-22(12-14-25)23-15-17-36-18-16-23;1-38-18-17-25(22-38)23-13-15-27(16-14-23)36-34-35-21-26-19-30(39(2)28-10-5-4-6-11-28)33(42)41(32(26)37-34)31-20-24-9-7-8-12-29(24)40(3)45(31,43)44/h4-7,9-10,12-17,19,22,26,32,37H,8,11,18,20-21H2,1-3H3,(H,38,39,40);3-15,20,22,26,32,36H,1,16-19,21H2,2H3,(H,37,38,39);4-5,8,10-15,20-21,28,31,36H,6-7,9,16-19H2,1-3H3,(H,37,38,39);4-16,19,21,25,31H,17-18,20,22H2,1-3H3,(H,35,36,37)
• InChIKey: FMBGUFOCGFUMDT-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 420.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.12
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158073245) is 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)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-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6N(C)S5(=O)=O)c4n3)cc2)C1.CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O.

What is the InChIKey of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FMBGUFOCGFUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O4S.C35H34N6O3S.C35H38N6O2S.C34H35N7O3S/c1-23-9-4-6-12-29(23)45-30-19-27-22-38-35(39-28-16-14-24(15-17-28)26-11-8-18-37-21-26)40-33(27)41(34(30)42)32-20-25-10-5-7-13-31(25)46(43,44)36(32,2)3;1-23(24-8-4-3-5-9-24)30-20-28-22-37-35(38-29-14-12-25(13-15-29)26-16-18-36-19-17-26)39-33(28)41(34(30)42)32-21-27-10-6-7-11-31(27)45(43,44)40(32)2;1-35(2)31(30(42)26-8-4-5-10-29(26)44-35)41-32-24(20-27(33(41)43)28-9-6-7-19-40(28)3)21-37-34(39-32)38-25-13-11-22(12-14-25)23-15-17-36-18-16-23;1-38-18-17-25(22-38)23-13-15-27(16-14-23)36-34-35-21-26-19-30(39(2)28-10-5-4-6-11-28)33(42)41(32(26)37-34)31-20-24-9-7-8-12-29(24)40(3)45(31,43)44/h4-7,9-10,12-17,19,22,26,32,37H,8,11,18,20-21H2,1-3H3,(H,38,39,40);3-15,20,22,26,32,36H,1,16-19,21H2,2H3,(H,37,38,39);4-5,8,10-15,20-21,28,31,36H,6-7,9,16-19H2,1-3H3,(H,37,38,39);4-16,19,21,25,31H,17-18,20,22H2,1-3H3,(H,35,36,37).

What are the key properties of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2483.12 g/mol, XLogP of 23.51, 23 rotatable bonds, 7 hydrogen bond donors, and 35 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-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158073245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).