6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C94H95F4N27O4S3 — CID 159738185

About 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159738185) has the molecular formula C94H95F4N27O4S3 and a molecular weight of 1839.17 g/mol. Its IUPAC name is 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159738185
• Molecular Formula: C94H95F4N27O4S3
• Molecular Weight: 1839.17 g/mol
• Exact Mass: 1837.72
• IUPAC Name: 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5F)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.Cc1nn(-c2nccn2C)c(C)c1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(-c2nccs2)c1=O.Cc1sc(-c2cnn(C)c2)nc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O
• InChI: InChI=1S/C32H31F4N7O.C31H33N11OS.C31H31N9O2S2/c1-41-14-11-24(12-15-41)38-22-6-8-23(9-7-22)39-31-37-18-21-16-26(30(44)43(29(21)40-31)19-32(34,35)36)25-10-5-20(17-27(25)33)28-4-3-13-42(28)2;1-19-26(20(2)42(38-19)30-33-12-14-39(30)3)25-16-21-17-35-29(37-27(21)41(28(25)43)31-34-13-15-44-31)36-22-7-9-23(10-8-22)40(4)24-6-5-11-32-18-24;1-19-27(36-29(44-19)21-15-34-39(3)16-21)25-13-20-14-33-31(37-28(20)40(30(25)41)18-26-32-10-12-43-26)35-22-6-8-23(9-7-22)42-24-5-4-11-38(2)17-24/h3-10,13,16-18,24,38H,11-12,14-15,19H2,1-2H3,(H,37,39,40);7-10,12-17,24,32H,5-6,11,18H2,1-4H3,(H,35,36,37);6-10,12-16,24H,4-5,11,17-18H2,1-3H3,(H,33,35,37)
• InChIKey: NCCIOXYYWQCIPO-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 319.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.17
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159738185) is 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5F)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.Cc1nn(-c2nccn2C)c(C)c1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(-c2nccs2)c1=O.Cc1sc(-c2cnn(C)c2)nc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.

What is the InChIKey of 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NCCIOXYYWQCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N7O.C31H33N11OS.C31H31N9O2S2/c1-41-14-11-24(12-15-41)38-22-6-8-23(9-7-22)39-31-37-18-21-16-26(30(44)43(29(21)40-31)19-32(34,35)36)25-10-5-20(17-27(25)33)28-4-3-13-42(28)2;1-19-26(20(2)42(38-19)30-33-12-14-39(30)3)25-16-21-17-35-29(37-27(21)41(28(25)43)31-34-13-15-44-31)36-22-7-9-23(10-8-22)40(4)24-6-5-11-32-18-24;1-19-27(36-29(44-19)21-15-34-39(3)16-21)25-13-20-14-33-31(37-28(20)40(30(25)41)18-26-32-10-12-43-26)35-22-6-8-23(9-7-22)42-24-5-4-11-38(2)17-24/h3-10,13,16-18,24,38H,11-12,14-15,19H2,1-2H3,(H,37,39,40);7-10,12-17,24,32H,5-6,11,18H2,1-4H3,(H,35,36,37);6-10,12-16,24H,4-5,11,17-18H2,1-3H3,(H,33,35,37).

What are the key properties of 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1839.17 g/mol, XLogP of 16.13, 22 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159738185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).