6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C123H140N26O13S3 — CID 158575964

About 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158575964) has the molecular formula C123H140N26O13S3 and a molecular weight of 2286.84 g/mol. Its IUPAC name is 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158575964
• Molecular Formula: C123H140N26O13S3
• Molecular Weight: 2286.84 g/mol
• Exact Mass: 2285.03
• IUPAC Name: 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(C2C(=O)c3ccccc3OC2(C)C)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3CS2(=O)=O)c1=O.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2Cc3ccccc3NS2(=O)=O)c1=O
• InChI: InChI=1S/C34H40N6O3.C31H35N7O3S.C31H37N7O3S.C27H28N6O4S/c1-5-21(6-2)27-18-22-19-36-33(38-24-15-13-23(14-16-24)37-25-10-9-17-35-20-25)39-31(22)40(32(27)42)30-29(41)26-11-7-8-12-28(26)43-34(30,3)4;1-20(37(2)3)27-17-22-18-33-31(35-24-10-8-23(9-11-24)34-25-12-14-32-15-13-25)36-29(22)38(30(27)39)26-16-21-6-4-5-7-28(21)42(40,41)19-26;1-4-37(5-2)27-16-23-18-32-31(34-25-12-10-24(11-13-25)33-26-14-15-36(3)19-26)35-29(23)38(30(27)39)28-17-21-8-6-7-9-22(21)20-42(28,40)41;1-17-13-20-15-28-27(29-21-9-7-18(8-10-21)23-16-32(2)11-12-37-23)30-25(20)33(26(17)34)24-14-19-5-3-4-6-22(19)31-38(24,35)36/h7-8,11-16,18-19,21,25,30,35,37H,5-6,9-10,17,20H2,1-4H3,(H,36,38,39);4-11,17-18,25-26,32,34H,1,12-16,19H2,2-3H3,(H,33,35,36);6-13,16,18,26,28,33H,4-5,14-15,17,19-20H2,1-3H3,(H,32,34,35);3-10,13,15,23-24,31H,11-12,14,16H2,1-2H3,(H,28,29,30)
• InChIKey: HSQVASYMJSANEY-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 462.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.84
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158575964) is 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(C2C(=O)c3ccccc3OC2(C)C)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3CS2(=O)=O)c1=O.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2Cc3ccccc3NS2(=O)=O)c1=O.

What is the InChIKey of 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HSQVASYMJSANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O3.C31H35N7O3S.C31H37N7O3S.C27H28N6O4S/c1-5-21(6-2)27-18-22-19-36-33(38-24-15-13-23(14-16-24)37-25-10-9-17-35-20-25)39-31(22)40(32(27)42)30-29(41)26-11-7-8-12-28(26)43-34(30,3)4;1-20(37(2)3)27-17-22-18-33-31(35-24-10-8-23(9-11-24)34-25-12-14-32-15-13-25)36-29(22)38(30(27)39)26-16-21-6-4-5-7-28(21)42(40,41)19-26;1-4-37(5-2)27-16-23-18-32-31(34-25-12-10-24(11-13-25)33-26-14-15-36(3)19-26)35-29(23)38(30(27)39)28-17-21-8-6-7-9-22(21)20-42(28,40)41;1-17-13-20-15-28-27(29-21-9-7-18(8-10-21)23-16-32(2)11-12-37-23)30-25(20)33(26(17)34)24-14-19-5-3-4-6-22(19)31-38(24,35)36/h7-8,11-16,18-19,21,25,30,35,37H,5-6,9-10,17,20H2,1-4H3,(H,36,38,39);4-11,17-18,25-26,32,34H,1,12-16,19H2,2-3H3,(H,33,35,36);6-13,16,18,26,28,33H,4-5,14-15,17,19-20H2,1-3H3,(H,32,34,35);3-10,13,15,23-24,31H,11-12,14,16H2,1-2H3,(H,28,29,30).

What are the key properties of 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2286.84 g/mol, XLogP of 17.51, 27 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-8-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158575964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).