8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

C131H137N29O12S4 — CID 158260775

About 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158260775) has the molecular formula C131H137N29O12S4 and a molecular weight of 2438.00 g/mol. Its IUPAC name is 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158260775
• Molecular Formula: C131H137N29O12S4
• Molecular Weight: 2438.00 g/mol
• Exact Mass: 2435.99
• IUPAC Name: 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(C5Cc6ccccc6NS5(=O)=O)c4n3)cc2)C1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2C(=O)c3ccccc3OC2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3CS2(=O)=O)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1C1Cc2ccccc2S(=O)(=O)C1
• InChI: InChI=1S/C36H36N6O3.C32H38N8O3S.C32H32N8O3S.C31H31N7O3S2/c1-22-9-5-6-10-26(22)28-20-24-21-38-35(39-25-13-14-29(23(2)19-25)41-17-15-37-16-18-41)40-33(24)42(34(28)44)32-31(43)27-11-7-8-12-30(27)45-36(32,3)4;1-38-16-14-25(20-38)34-23-10-12-24(13-11-23)35-32-33-19-22-17-26(28-9-5-6-15-39(28)2)31(41)40(30(22)36-32)29-18-21-7-3-4-8-27(21)37-44(29,42)43;41-31-28(37-26-7-4-14-34-19-26)16-22-17-35-32(38-24-11-9-23(10-12-24)36-25-6-3-13-33-18-25)39-30(22)40(31)27-15-21-5-1-2-8-29(21)44(42,43)20-27;1-19-28(34-18-42-19)26-14-22-16-33-31(36-24-8-6-23(7-9-24)35-25-10-12-32-13-11-25)37-29(22)38(30(26)39)27-15-20-4-2-3-5-21(20)17-43(27,40)41/h5-14,19-21,32,37H,15-18H2,1-4H3,(H,38,39,40);3-4,7-8,10-13,17,19,25,28-29,34,37H,5-6,9,14-16,18,20H2,1-2H3,(H,33,35,36);1-2,4-5,7-12,14,16-17,19,25,27,33,36-37H,3,6,13,15,18,20H2,(H,35,38,39);2-9,14,16,18,25,27,32,35H,10-13,15,17H2,1H3,(H,33,36,37)
• InChIKey: GHVQAWGPADSMNU-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 499.70 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.00
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

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-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 158260775) is 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(C5Cc6ccccc6NS5(=O)=O)c4n3)cc2)C1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2C(=O)c3ccccc3OC2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3CS2(=O)=O)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1C1Cc2ccccc2S(=O)(=O)C1.

What is the InChIKey of 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GHVQAWGPADSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O3.C32H38N8O3S.C32H32N8O3S.C31H31N7O3S2/c1-22-9-5-6-10-26(22)28-20-24-21-38-35(39-25-13-14-29(23(2)19-25)41-17-15-37-16-18-41)40-33(24)42(34(28)44)32-31(43)27-11-7-8-12-30(27)45-36(32,3)4;1-38-16-14-25(20-38)34-23-10-12-24(13-11-23)35-32-33-19-22-17-26(28-9-5-6-15-39(28)2)31(41)40(30(22)36-32)29-18-21-7-3-4-8-27(21)37-44(29,42)43;41-31-28(37-26-7-4-14-34-19-26)16-22-17-35-32(38-24-11-9-23(10-12-24)36-25-6-3-13-33-18-25)39-30(22)40(31)27-15-21-5-1-2-8-29(21)44(42,43)20-27;1-19-28(34-18-42-19)26-14-22-16-33-31(36-24-8-6-23(7-9-24)35-25-10-12-32-13-11-25)37-29(22)38(30(26)39)27-15-20-4-2-3-5-21(20)17-43(27,40)41/h5-14,19-21,32,37H,15-18H2,1-4H3,(H,38,39,40);3-4,7-8,10-13,17,19,25,28-29,34,37H,5-6,9,14-16,18,20H2,1-2H3,(H,33,35,36);1-2,4-5,7-12,14,16-17,19,25,27,33,36-37H,3,6,13,15,18,20H2,(H,35,38,39);2-9,14,16,18,25,27,32,35H,10-13,15,17H2,1H3,(H,33,36,37).

What are the key properties of 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2438.00 g/mol, XLogP of 19.34, 24 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158260775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).