8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C133H135N27O13S4 — CID 158020057

About 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158020057) has the molecular formula C133H135N27O13S4 and a molecular weight of 2447.99 g/mol. Its IUPAC name is 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158020057
• Molecular Formula: C133H135N27O13S4
• Molecular Weight: 2447.99 g/mol
• Exact Mass: 2445.96
• IUPAC Name: 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(C3C(=O)c4ccccc4N(C)C3(C)C)c2=O)CCC1.CN1C(n2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc32)Cc2ccccc2S1(=O)=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2)c1=O
• InChI: InChI=1S/C36H40N6O3.C36H35N5O3S.C31H30N8O3S2.C30H30N8O4S/c1-22-8-7-10-27(22)29-20-23-21-38-35(39-24-12-14-25(15-13-24)45-26-16-18-37-19-17-26)40-33(23)42(34(29)44)32-31(43)28-9-5-6-11-30(28)41(4)36(32,2)3;1-22-9-5-6-10-27(22)29-19-23-20-37-35(38-24-13-15-25(16-14-24)44-26-17-18-40(4)21-26)39-33(23)41(34(29)43)32-31(42)28-11-7-8-12-30(28)45-36(32,2)3;1-38-28(16-21-5-2-3-7-27(21)44(38,41)42)39-29-22(15-25(30(39)40)35-24-6-4-12-32-18-24)17-34-31(37-29)36-23-10-8-20(9-11-23)26-19-33-13-14-43-26;1-37-14-13-32-28(37)24-15-20-17-33-30(34-21-8-10-22(11-9-21)42-23-6-4-12-31-18-23)35-27(20)38(29(24)39)26-16-19-5-2-3-7-25(19)43(40,41)36-26/h5-6,9,11-15,20-21,26,32,37H,7-8,10,16-19H2,1-4H3,(H,38,39,40);5-16,19-20,26,32H,17-18,21H2,1-4H3,(H,37,38,39);2-12,15,17-18,26,28,33,35H,13-14,16,19H2,1H3,(H,34,36,37);2-3,5,7-11,13-15,17,23,26,31,36H,4,6,12,16,18H2,1H3,(H,33,34,35)
• InChIKey: FFYJLBOQPWDCJZ-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 469.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.99
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158020057) is 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(C3C(=O)c4ccccc4N(C)C3(C)C)c2=O)CCC1.CN1C(n2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc32)Cc2ccccc2S1(=O)=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2)c1=O.

What is the InChIKey of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FFYJLBOQPWDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N6O3.C36H35N5O3S.C31H30N8O3S2.C30H30N8O4S/c1-22-8-7-10-27(22)29-20-23-21-38-35(39-24-12-14-25(15-13-24)45-26-16-18-37-19-17-26)40-33(23)42(34(29)44)32-31(43)28-9-5-6-11-30(28)41(4)36(32,2)3;1-22-9-5-6-10-27(22)29-19-23-20-37-35(38-24-13-15-25(16-14-24)44-26-17-18-40(4)21-26)39-33(23)41(34(29)43)32-31(42)28-11-7-8-12-30(28)45-36(32,2)3;1-38-28(16-21-5-2-3-7-27(21)44(38,41)42)39-29-22(15-25(30(39)40)35-24-6-4-12-32-18-24)17-34-31(37-29)36-23-10-8-20(9-11-23)26-19-33-13-14-43-26;1-37-14-13-32-28(37)24-15-20-17-33-30(34-21-8-10-22(11-9-21)42-23-6-4-12-31-18-23)35-27(20)38(29(24)39)26-16-19-5-2-3-7-25(19)43(40,41)36-26/h5-6,9,11-15,20-21,26,32,37H,7-8,10,16-19H2,1-4H3,(H,38,39,40);5-16,19-20,26,32H,17-18,21H2,1-4H3,(H,37,38,39);2-12,15,17-18,26,28,33,35H,13-14,16,19H2,1H3,(H,34,36,37);2-3,5,7-11,13-15,17,23,26,31,36H,4,6,12,16,18H2,1H3,(H,33,34,35).

What are the key properties of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2447.99 g/mol, XLogP of 20.70, 24 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158020057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).