6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one

C127H136F3N27O10S5 — CID 161434866

About 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one

6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 161434866) has the molecular formula C127H136F3N27O10S5 and a molecular weight of 2417.99 g/mol. Its IUPAC name is 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161434866
• Molecular Formula: C127H136F3N27O10S5
• Molecular Weight: 2417.99 g/mol
• Exact Mass: 2415.95
• IUPAC Name: 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCCN(C)C5)cc4)nc3n(CC(F)(F)F)c2=O)cc1)C1CC1.C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)CC5)cc4)nc3n(-c3nccs3)c2=O)nc1)C(C)C.CN(c1ccc(Nc2ncc3cc(-c4ccccc4S(C)(=O)=O)c(=O)n(-c4ccccc4)c3n2)cc1)C1CCNCC1.COCCS(=O)(=O)c1cn(C)c(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(Cc3nccs3)c2=O)n1
• InChI: InChI=1S/C33H34F3N5O.C32H35N7O2S2.C32H32N6O3S.C30H35N9O4S2/c1-21(24-7-8-24)25-9-11-26(12-10-25)29-17-27-18-37-32(39-30(27)41(31(29)42)20-33(34,35)36)38-28-13-5-22(6-14-28)16-23-4-3-15-40(2)19-23;1-21(2)43(4,41)26-9-10-28(34-20-26)27-18-24-19-35-31(37-29(24)39(30(27)40)32-33-13-16-42-32)36-25-7-5-22(6-8-25)17-23-11-14-38(3)15-12-23;1-37(25-16-18-33-19-17-25)24-14-12-23(13-15-24)35-32-34-21-22-20-28(27-10-6-7-11-29(27)42(2,40)41)31(39)38(30(22)36-32)26-8-4-3-5-9-26;1-37-19-26(45(41,42)14-12-43-3)35-28(37)24-15-20-16-33-30(36-27(20)39(29(24)40)18-25-32-11-13-44-25)34-21-6-8-22(9-7-21)38(2)23-5-4-10-31-17-23/h5-6,9-14,17-18,23-24H,1,3-4,7-8,15-16,19-20H2,2H3,(H,37,38,39);5-10,13,16,18-21,23H,4,11-12,14-15,17H2,1-3H3,(H,35,36,37);3-15,20-21,25,33H,16-19H2,1-2H3,(H,34,35,36);6-9,11,13,15-16,19,23,31H,4-5,10,12,14,17-18H2,1-3H3,(H,33,34,36)
• InChIKey: VYMYARUNLOYTNJ-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 427.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2417.99
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one (CID 161434866) is 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one is C=C(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCCN(C)C5)cc4)nc3n(CC(F)(F)F)c2=O)cc1)C1CC1.C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)CC5)cc4)nc3n(-c3nccs3)c2=O)nc1)C(C)C.CN(c1ccc(Nc2ncc3cc(-c4ccccc4S(C)(=O)=O)c(=O)n(-c4ccccc4)c3n2)cc1)C1CCNCC1.COCCS(=O)(=O)c1cn(C)c(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(Cc3nccs3)c2=O)n1.

What is the InChIKey of 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is VYMYARUNLOYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O.C32H35N7O2S2.C32H32N6O3S.C30H35N9O4S2/c1-21(24-7-8-24)25-9-11-26(12-10-25)29-17-27-18-37-32(39-30(27)41(31(29)42)20-33(34,35)36)38-28-13-5-22(6-14-28)16-23-4-3-15-40(2)19-23;1-21(2)43(4,41)26-9-10-28(34-20-26)27-18-24-19-35-31(37-29(24)39(30(27)40)32-33-13-16-42-32)36-25-7-5-22(6-8-25)17-23-11-14-38(3)15-12-23;1-37(25-16-18-33-19-17-25)24-14-12-23(13-15-24)35-32-34-21-22-20-28(27-10-6-7-11-29(27)42(2,40)41)31(39)38(30(22)36-32)26-8-4-3-5-9-26;1-37-19-26(45(41,42)14-12-43-3)35-28(37)24-15-20-16-33-30(36-27(20)39(29(24)40)18-25-32-11-13-44-25)34-21-6-8-22(9-7-21)38(2)23-5-4-10-31-17-23/h5-6,9-14,17-18,23-24H,1,3-4,7-8,15-16,19-20H2,2H3,(H,37,38,39);5-10,13,16,18-21,23H,4,11-12,14-15,17H2,1-3H3,(H,35,36,37);3-15,20-21,25,33H,16-19H2,1-2H3,(H,34,35,36);6-9,11,13,15-16,19,23,31H,4-5,10,12,14,17-18H2,1-3H3,(H,33,34,36).

What are the key properties of 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one?

6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2417.99 g/mol, XLogP of 20.31, 34 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1-cyclopropylethenyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(2-methoxyethylsulfonyl)-1-methylimidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(2-methylsulfonylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161434866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).