6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C132H142N26O8S3 — CID 158652925

About 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158652925) has the molecular formula C132H142N26O8S3 and a molecular weight of 2316.96 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158652925
• Molecular Formula: C132H142N26O8S3
• Molecular Weight: 2316.96 g/mol
• Exact Mass: 2315.07
• IUPAC Name: 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O)N(C)C.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O
• InChI: InChI=1S/C36H35N5OS.C33H34N6O2S.C32H37N7O2.C31H36N8O3S/c1-24(25-9-4-3-5-10-25)32-20-29-21-37-36(38-30-16-14-26(15-17-30)28-12-8-18-40(2)22-28)39-34(29)41(35(32)42)31-19-27-11-6-7-13-33(27)43-23-31;1-20(21-9-10-21)27-16-22-17-35-33(36-23-11-13-24(14-12-23)38(2)25-6-5-15-34-18-25)37-31(22)39(32(27)41)28-19-42-29-8-4-3-7-26(29)30(28)40;1-20-17-21-18-33-31(35-23-14-12-22(13-15-23)34-24-9-8-16-37(4)19-24)36-29(21)39(30(20)41)28-27(40)25-10-6-7-11-26(25)38(5)32(28,2)3;1-20(37(2)3)26-17-22-19-33-31(35-24-11-9-23(10-12-24)34-25-13-15-32-16-14-25)36-29(22)39(30(26)40)28-18-21-7-5-6-8-27(21)38(4)43(28,41)42/h3-7,9-11,13-17,20-21,28,31H,1,8,12,18-19,22-23H2,2H3,(H,37,38,39);3-4,7-8,11-14,16-17,21,25,28,34H,1,5-6,9-10,15,18-19H2,2H3,(H,35,36,37);6-7,10-15,17-18,24,28,34H,8-9,16,19H2,1-5H3,(H,33,35,36);5-12,17,19,25,28,32,34H,1,13-16,18H2,2-4H3,(H,33,35,36)
• InChIKey: IBTRZLOEDIVSEM-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 375.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.96
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158652925) is 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O)N(C)C.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.

What is the InChIKey of 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IBTRZLOEDIVSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5OS.C33H34N6O2S.C32H37N7O2.C31H36N8O3S/c1-24(25-9-4-3-5-10-25)32-20-29-21-37-36(38-30-16-14-26(15-17-30)28-12-8-18-40(2)22-28)39-34(29)41(35(32)42)31-19-27-11-6-7-13-33(27)43-23-31;1-20(21-9-10-21)27-16-22-17-35-33(36-23-11-13-24(14-12-23)38(2)25-6-5-15-34-18-25)37-31(22)39(32(27)41)28-19-42-29-8-4-3-7-26(29)30(28)40;1-20-17-21-18-33-31(35-23-14-12-22(13-15-23)34-24-9-8-16-37(4)19-24)36-29(21)39(30(20)41)28-27(40)25-10-6-7-11-26(25)38(5)32(28,2)3;1-20(37(2)3)26-17-22-19-33-31(35-24-11-9-23(10-12-24)34-25-13-15-32-16-14-25)36-29(22)39(30(26)40)28-18-21-7-5-6-8-27(21)38(4)43(28,41)42/h3-7,9-11,13-17,20-21,28,31H,1,8,12,18-19,22-23H2,2H3,(H,37,38,39);3-4,7-8,11-14,16-17,21,25,28,34H,1,5-6,9-10,15,18-19H2,2H3,(H,35,36,37);6-7,10-15,17-18,24,28,34H,8-9,16,19H2,1-5H3,(H,33,35,36);5-12,17,19,25,28,32,34H,1,13-16,18H2,2-4H3,(H,33,35,36).

What are the key properties of 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2316.96 g/mol, XLogP of 21.73, 25 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158652925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).