6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide

C101H110F3N27O9S — CID 158609777

About 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide

6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide (PubChem CID 158609777) has the molecular formula C101H110F3N27O9S and a molecular weight of 1935.23 g/mol. Its IUPAC name is 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
• PubChem CID: 158609777
• Molecular Formula: C101H110F3N27O9S
• Molecular Weight: 1935.23 g/mol
• Exact Mass: 1933.87
• IUPAC Name: 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
• SMILES: Cc1cnc(-c2cnco2)nc1-c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(-c2ccoc2)ccc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1nc(C2=COCN2)ncc1-c1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O
• InChI: InChI=1S/C35H34F3N9O2.C35H40N8O3.C31H36N10O4S/c1-21-28(17-39-31(42-21)30-19-49-20-41-30)27-15-23-16-40-34(44-25-9-7-24(8-10-25)43-26-11-13-46(2)14-12-26)45-32(23)47(33(27)48)18-22-5-3-4-6-29(22)35(36,37)38;1-24-30(7-8-32(38-24)25-11-18-46-23-25)31-21-26-22-37-35(40-33(26)43(34(31)44)15-14-42-16-19-45-20-17-42)39-27-3-5-28(6-4-27)41(2)29-9-12-36-13-10-29;1-20-15-33-28(26-17-32-19-45-26)37-27(20)25-14-21-16-34-31(38-29(21)41(30(25)42)13-12-40(3)46(4,43)44)36-23-9-7-22(8-10-23)35-24-6-5-11-39(2)18-24/h3-10,15-17,19,26,41,43H,11-14,18,20H2,1-2H3,(H,40,44,45);3-8,11,18,21-23,29,36H,9-10,12-17,19-20H2,1-2H3,(H,37,39,40);7-10,14-17,19,24,35H,5-6,11-13,18H2,1-4H3,(H,34,36,38)
• InChIKey: HWRNLRSJUAUNCC-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 399.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.23
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

The IUPAC name of 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide (CID 158609777) is 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide.

What is the SMILES notation for 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

The canonical SMILES for 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide is Cc1cnc(-c2cnco2)nc1-c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(-c2ccoc2)ccc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1nc(C2=COCN2)ncc1-c1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.

What is the InChIKey of 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

The InChIKey is HWRNLRSJUAUNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N9O2.C35H40N8O3.C31H36N10O4S/c1-21-28(17-39-31(42-21)30-19-49-20-41-30)27-15-23-16-40-34(44-25-9-7-24(8-10-25)43-26-11-13-46(2)14-12-26)45-32(23)47(33(27)48)18-22-5-3-4-6-29(22)35(36,37)38;1-24-30(7-8-32(38-24)25-11-18-46-23-25)31-21-26-22-37-35(40-33(26)43(34(31)44)15-14-42-16-19-45-20-17-42)39-27-3-5-28(6-4-27)41(2)29-9-12-36-13-10-29;1-20-15-33-28(26-17-32-19-45-26)37-27(20)25-14-21-16-34-31(38-29(21)41(30(25)42)13-12-40(3)46(4,43)44)36-23-9-7-22(8-10-23)35-24-6-5-11-39(2)18-24/h3-10,15-17,19,26,41,43H,11-14,18,20H2,1-2H3,(H,40,44,45);3-8,11,18,21-23,29,36H,9-10,12-17,19-20H2,1-2H3,(H,37,39,40);7-10,14-17,19,24,35H,5-6,11-13,18H2,1-4H3,(H,34,36,38).

What are the key properties of 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide has a molecular weight of 1935.23 g/mol, XLogP of 13.79, 27 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2,3-dihydro-1,3-oxazol-4-yl)-4-methylpyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[6-(furan-3-yl)-2-methyl-3-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-2-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 158609777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).