6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C116H125BrF4N28O14S4 — CID 159470730

About 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159470730) has the molecular formula C116H125BrF4N28O14S4 and a molecular weight of 2419.62 g/mol. Its IUPAC name is 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159470730
• Molecular Formula: C116H125BrF4N28O14S4
• Molecular Weight: 2419.62 g/mol
• Exact Mass: 2416.79
• IUPAC Name: 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2c(F)cccc2C(=O)CC(F)(F)F)c1=O)N(C)C.CC(C)S(=O)(=O)c1occc1Cn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2cccn2S(=O)(=O)c2nccs2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5occc5S(C)=O)c4n3)cc2)C1
• InChI: InChI=1S/C32H33F4N7O2.C30H35N9O3S2.C30H33N7O5S.C24H24BrN5O4S/c1-19(42(2)3)25-15-20-17-38-31(40-22-9-7-21(8-10-22)39-23-11-13-37-14-12-23)41-29(20)43(30(25)45)18-26-24(5-4-6-27(26)33)28(44)16-32(34,35)36;1-4-37(5-2)26-17-21-18-32-29(34-23-10-8-22(9-11-23)33-24-12-15-36(3)19-24)35-27(21)38(28(26)40)20-25-7-6-14-39(25)44(41,42)30-31-13-16-43-30;1-19(2)43(39,40)29-20(10-14-41-29)18-37-26-21(15-25(28(37)38)27-32-12-13-36(27)3)16-33-30(35-26)34-22-6-8-23(9-7-22)42-24-5-4-11-31-17-24;1-29-8-10-34-19(13-29)15-3-5-17(6-4-15)27-24-26-12-16-11-18(25)23(31)30(22(16)28-24)14-20-21(35(2)32)7-9-33-20/h4-10,15,17,23,37,39H,1,11-14,16,18H2,2-3H3,(H,38,40,41);6-11,13-14,16-18,24,33H,4-5,12,15,19-20H2,1-3H3,(H,32,34,35);6-10,12-16,19,24,31H,4-5,11,17-18H2,1-3H3,(H,33,34,35);3-7,9,11-12,19H,8,10,13-14H2,1-2H3,(H,26,27,28)
• InChIKey: LVTOJSATGZVNRV-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 483.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 36
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2419.62
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159470730) is 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2c(F)cccc2C(=O)CC(F)(F)F)c1=O)N(C)C.CC(C)S(=O)(=O)c1occc1Cn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2cccn2S(=O)(=O)c2nccs2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5occc5S(C)=O)c4n3)cc2)C1.

What is the InChIKey of 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LVTOJSATGZVNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F4N7O2.C30H35N9O3S2.C30H33N7O5S.C24H24BrN5O4S/c1-19(42(2)3)25-15-20-17-38-31(40-22-9-7-21(8-10-22)39-23-11-13-37-14-12-23)41-29(20)43(30(25)45)18-26-24(5-4-6-27(26)33)28(44)16-32(34,35)36;1-4-37(5-2)26-17-21-18-32-29(34-23-10-8-22(9-11-23)33-24-12-15-36(3)19-24)35-27(21)38(28(26)40)20-25-7-6-14-39(25)44(41,42)30-31-13-16-43-30;1-19(2)43(39,40)29-20(10-14-41-29)18-37-26-21(15-25(28(37)38)27-32-12-13-36(27)3)16-33-30(35-26)34-22-6-8-23(9-7-22)42-24-5-4-11-31-17-24;1-29-8-10-34-19(13-29)15-3-5-17(6-4-15)27-24-26-12-16-11-18(25)23(31)30(22(16)28-24)14-20-21(35(2)32)7-9-33-20/h4-10,15,17,23,37,39H,1,11-14,16,18H2,2-3H3,(H,38,40,41);6-11,13-14,16-18,24,33H,4-5,12,15,19-20H2,1-3H3,(H,32,34,35);6-10,12-16,19,24,31H,4-5,11,17-18H2,1-3H3,(H,33,34,35);3-7,9,11-12,19H,8,10,13-14H2,1-2H3,(H,26,27,28).

What are the key properties of 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2419.62 g/mol, XLogP of 17.16, 36 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfinylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(3,3,3-trifluoropropanoyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[(2-propan-2-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159470730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).