6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C158H173N33O14S2 — CID 159192969

About 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159192969) has the molecular formula C158H173N33O14S2 and a molecular weight of 2822.47 g/mol. Its IUPAC name is 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159192969
• Molecular Formula: C158H173N33O14S2
• Molecular Weight: 2822.47 g/mol
• Exact Mass: 2820.33
• IUPAC Name: 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O)N(C)C.CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(C3Cc4ccccc4CC3=O)c2=O)CCC1.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CNc3ccccc3C2)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2CC(=O)c3ccccc3C2)c1=O
• InChI: InChI=1S/C34H35N5O3.C33H41N7O3S.C32H31N7O3.C31H36N8O3S.C28H30N6O2/c1-21-5-4-8-28(21)29-17-24-20-36-34(37-25-9-11-26(12-10-25)42-27-13-15-35-16-14-27)38-32(24)39(33(29)41)30-18-22-6-2-3-7-23(22)19-31(30)40;1-6-39(7-2)27-18-23-20-34-32(36-25-14-12-24(13-15-25)35-26-16-17-38(5)21-26)37-30(23)40(31(27)41)29-19-22-10-8-9-11-28(22)44(42,43)33(29,3)4;1-38-14-13-34-30(38)27-16-21-18-35-32(36-22-8-10-24(11-9-22)42-25-6-4-12-33-19-25)37-29(21)39(31(27)41)23-15-20-5-2-3-7-26(20)28(40)17-23;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;1-18-13-21-15-30-28(31-22-9-7-19(8-10-22)25-17-33(2)11-12-36-25)32-26(21)34(27(18)35)23-14-20-5-3-4-6-24(20)29-16-23/h2-3,6-7,9-12,17,20,27,30,35H,4-5,8,13-16,18-19H2,1H3,(H,36,37,38);8-15,18,20,26,29,35H,6-7,16-17,19,21H2,1-5H3,(H,34,36,37);2-3,5,7-11,13-14,16,18,23,25,33H,4,6,12,15,17,19H2,1H3,(H,35,36,37);5-12,17,19,25,28,32,34H,1,13-16,18H2,2-4H3,(H,33,35,36);3-10,13,15,23,25,29H,11-12,14,16-17H2,1-2H3,(H,30,31,32)
• InChIKey: KOHYOHIZAWNINC-UHFFFAOYSA-N
• XLogP: 22.62
• TPSA: 535.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.47
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 159192969) is 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O)N(C)C.CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(C3Cc4ccccc4CC3=O)c2=O)CCC1.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CNc3ccccc3C2)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2CC(=O)c3ccccc3C2)c1=O.

What is the InChIKey of 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KOHYOHIZAWNINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O3.C33H41N7O3S.C32H31N7O3.C31H36N8O3S.C28H30N6O2/c1-21-5-4-8-28(21)29-17-24-20-36-34(37-25-9-11-26(12-10-25)42-27-13-15-35-16-14-27)38-32(24)39(33(29)41)30-18-22-6-2-3-7-23(22)19-31(30)40;1-6-39(7-2)27-18-23-20-34-32(36-25-14-12-24(13-15-25)35-26-16-17-38(5)21-26)37-30(23)40(31(27)41)29-19-22-10-8-9-11-28(22)44(42,43)33(29,3)4;1-38-14-13-34-30(38)27-16-21-18-35-32(36-22-8-10-24(11-9-22)42-25-6-4-12-33-19-25)37-29(21)39(31(27)41)23-15-20-5-2-3-7-26(20)28(40)17-23;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;1-18-13-21-15-30-28(31-22-9-7-19(8-10-22)25-17-33(2)11-12-36-25)32-26(21)34(27(18)35)23-14-20-5-3-4-6-24(20)29-16-23/h2-3,6-7,9-12,17,20,27,30,35H,4-5,8,13-16,18-19H2,1H3,(H,36,37,38);8-15,18,20,26,29,35H,6-7,16-17,19,21H2,1-5H3,(H,34,36,37);2-3,5,7-11,13-14,16,18,23,25,33H,4,6,12,15,17,19H2,1H3,(H,35,36,37);5-12,17,19,25,28,32,34H,1,13-16,18H2,2-4H3,(H,33,35,36);3-10,13,15,23,25,29H,11-12,14,16-17H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2822.47 g/mol, XLogP of 22.62, 31 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]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-(2-methylcyclopenten-1-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159192969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).