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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C134H133F3N28O10S4 — CID 162054634

About 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162054634) has the molecular formula C134H133F3N28O10S4 and a molecular weight of 2480.99 g/mol. Its IUPAC name is 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162054634
• Molecular Formula: C134H133F3N28O10S4
• Molecular Weight: 2480.99 g/mol
• Exact Mass: 2478.96
• IUPAC Name: 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1C1Cc2ccccc2S(=O)(=O)N1
• InChI: InChI=1S/C35H34N6O3S.C35H38N6O2S.C33H33N7O2S.C31H28F3N9O3S/c1-23(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;1-19-27(36-18-43-19)25-15-22-17-35-32(37-23-11-9-20(10-12-23)21-13-14-34-16-21)38-30(22)40(31(25)42)29-28(41)24-7-5-6-8-26(24)39(4)33(29,2)3;32-31(33,34)23-16-21(7-8-25(23)42-12-10-35-11-13-42)39-30-37-17-20-14-24(38-22-5-3-9-36-18-22)29(44)43(28(20)40-30)27-15-19-4-1-2-6-26(19)47(45,46)41-27/h3-15,20,22,26,32,36H,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);5-12,15,17-18,21,29,34H,13-14,16H2,1-4H3,(H,35,37,38);1-9,14,16-18,27,35,38,41H,10-13,15H2,(H,37,39,40)
• InChIKey: YYZYZLNNAYNUDZ-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 452.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2480.99
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	10
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-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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 162054634) is 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1C1Cc2ccccc2S(=O)(=O)N1.

What is the InChIKey of 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is YYZYZLNNAYNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O3S.C35H38N6O2S.C33H33N7O2S.C31H28F3N9O3S/c1-23(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;1-19-27(36-18-43-19)25-15-22-17-35-32(37-23-11-9-20(10-12-23)21-13-14-34-16-21)38-30(22)40(31(25)42)29-28(41)24-7-5-6-8-26(24)39(4)33(29,2)3;32-31(33,34)23-16-21(7-8-25(23)42-12-10-35-11-13-42)39-30-37-17-20-14-24(38-22-5-3-9-36-18-22)29(44)43(28(20)40-30)27-15-19-4-1-2-6-26(19)47(45,46)41-27/h3-15,20,22,26,32,36H,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);5-12,15,17-18,21,29,34H,13-14,16H2,1-4H3,(H,35,37,38);1-9,14,16-18,27,35,38,41H,10-13,15H2,(H,37,39,40).

What are the key properties of 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2480.99 g/mol, XLogP of 21.65, 22 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 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;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)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;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162054634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).