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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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

C126H135N27O10S — CID 158721140

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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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 158721140) has the molecular formula C126H135N27O10S and a molecular weight of 2219.71 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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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: 158721140
• Molecular Formula: C126H135N27O10S
• Molecular Weight: 2219.71 g/mol
• Exact Mass: 2218.06
• 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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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: CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(C3Cc4ccccc4N(C)C3=O)c2=O)CCC1.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.CN1C(=O)c2ccccc2CC1n1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O
• InChI: InChI=1S/C34H36N6O3.C32H32N8O3.C31H37N7OS.C29H30N6O3/c1-21-6-5-8-27(21)28-18-23-20-36-34(37-24-10-12-25(13-11-24)43-26-14-16-35-17-15-26)38-31(23)40(32(28)41)30-19-22-7-3-4-9-29(22)39(2)33(30)42;1-38-15-14-34-29(38)26-16-21-18-35-32(36-22-9-11-23(12-10-22)43-24-7-5-13-33-19-24)37-28(21)40(31(26)42)27-17-20-6-3-4-8-25(20)30(41)39(27)2;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/h3-4,7,9-13,18,20,26,30,35H,5-6,8,14-17,19H2,1-2H3,(H,36,37,38);3-4,6,8-12,14-16,18,24,27,33H,5,7,13,17,19H2,1-2H3,(H,35,36,37);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: IJXVCYBEMYKNNV-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 391.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.71
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	7
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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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 158721140) 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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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 CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(C3Cc4ccccc4N(C)C3=O)c2=O)CCC1.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.CN1C(=O)c2ccccc2CC1n1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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 IJXVCYBEMYKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3.C32H32N8O3.C31H37N7OS.C29H30N6O3/c1-21-6-5-8-27(21)28-18-23-20-36-34(37-24-10-12-25(13-11-24)43-26-14-16-35-17-15-26)38-31(23)40(32(28)41)30-19-22-7-3-4-9-29(22)39(2)33(30)42;1-38-15-14-34-29(38)26-16-21-18-35-32(36-22-9-11-23(12-10-22)43-24-7-5-13-33-19-24)37-28(21)40(31(26)42)27-17-20-6-3-4-8-25(20)30(41)39(27)2;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/h3-4,7,9-13,18,20,26,30,35H,5-6,8,14-17,19H2,1-2H3,(H,36,37,38);3-4,6,8-12,14-16,18,24,27,33H,5,7,13,17,19H2,1-2H3,(H,35,36,37);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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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 2219.71 g/mol, XLogP of 18.38, 24 rotatable bonds, 7 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-(2-methylcyclopenten-1-yl)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperidin-3-yloxyanilino)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 158721140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).