6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C124H141N27O8S — CID 158126415

About 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158126415) has the molecular formula C124H141N27O8S and a molecular weight of 2169.74 g/mol. Its IUPAC name is 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158126415
• Molecular Formula: C124H141N27O8S
• Molecular Weight: 2169.74 g/mol
• Exact Mass: 2168.12
• IUPAC Name: 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(C2Cc3ccccc3N(C)C2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O
• InChI: InChI=1S/C33H41N7O.C31H33N7O3.C31H37N7OS.C29H30N6O3/c1-4-22(5-2)29-18-24-19-35-33(37-26-14-12-25(13-15-26)36-27-10-8-16-34-20-27)38-31(24)40(32(29)41)28-17-23-9-6-7-11-30(23)39(3)21-28;1-19(37(2)3)25-16-20-17-33-31(35-22-10-8-21(9-11-22)34-23-12-14-32-15-13-23)36-29(20)38(30(25)40)26-18-41-27-7-5-4-6-24(27)28(26)39;1-4-37(5-2)27-17-22-18-32-31(34-24-12-10-23(11-13-24)33-25-14-15-36(3)19-25)35-29(22)38(30(27)39)26-16-21-8-6-7-9-28(21)40-20-26;1-18-14-20-15-30-29(31-21-10-8-19(9-11-21)25-17-33(2)12-13-38-25)32-27(20)35(28(18)37)24-16-34(3)23-7-5-4-6-22(23)26(24)36/h6-7,9,11-15,18-19,22,27-28,34,36H,4-5,8,10,16-17,20-21H2,1-3H3,(H,35,37,38);4-11,16-17,23,26,32,34H,1,12-15,18H2,2-3H3,(H,33,35,36);6-13,17-18,25-26,33H,4-5,14-16,19-20H2,1-3H3,(H,32,34,35);4-11,14-15,24-25H,12-13,16-17H2,1-3H3,(H,30,31,32)
• InChIKey: FSFPZWGFMCIDDX-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 371.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.74
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158126415) is 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(C2Cc3ccccc3N(C)C2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.

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

The InChIKey is FSFPZWGFMCIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N7O.C31H33N7O3.C31H37N7OS.C29H30N6O3/c1-4-22(5-2)29-18-24-19-35-33(37-26-14-12-25(13-15-26)36-27-10-8-16-34-20-27)38-31(24)40(32(29)41)28-17-23-9-6-7-11-30(23)39(3)21-28;1-19(37(2)3)25-16-20-17-33-31(35-22-10-8-21(9-11-22)34-23-12-14-32-15-13-23)36-29(20)38(30(25)40)26-18-41-27-7-5-4-6-24(27)28(26)39;1-4-37(5-2)27-17-22-18-32-31(34-24-12-10-23(11-13-24)33-25-14-15-36(3)19-25)35-29(22)38(30(27)39)26-16-21-8-6-7-9-28(21)40-20-26;1-18-14-20-15-30-29(31-21-10-8-19(9-11-21)25-17-33(2)12-13-38-25)32-27(20)35(28(18)37)24-16-34(3)23-7-5-4-6-22(23)26(24)36/h6-7,9,11-15,18-19,22,27-28,34,36H,4-5,8,10,16-17,20-21H2,1-3H3,(H,35,37,38);4-11,16-17,23,26,32,34H,1,12-15,18H2,2-3H3,(H,33,35,36);6-13,17-18,25-26,33H,4-5,14-16,19-20H2,1-3H3,(H,32,34,35);4-11,14-15,24-25H,12-13,16-17H2,1-3H3,(H,30,31,32).

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

6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2169.74 g/mol, XLogP of 18.99, 27 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158126415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).