6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide

C111H136F3N25O10S3 — CID 160515457

About 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide

6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide (PubChem CID 160515457) has the molecular formula C111H136F3N25O10S3 and a molecular weight of 2133.67 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
• PubChem CID: 160515457
• Molecular Formula: C111H136F3N25O10S3
• Molecular Weight: 2133.67 g/mol
• Exact Mass: 2132.00
• IUPAC Name: 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
• SMILES: C=C(C)N1CCCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)C1.C=S(C)(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCCN(C)C6)cc5)nc4n(C4CCN(S(C)(=O)=O)CC4)c3=O)nc2)CC1.CC(=O)N1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O
• InChI: InChI=1S/C40H42F3N7O2.C37H48N8O5S2.C34H46N10O3S/c1-26(51)49-21-8-7-15-36(49)33-13-5-4-12-32(33)34-22-28-23-45-39(46-29-16-18-30(19-17-29)48(2)31-11-9-20-44-24-31)47-37(28)50(38(34)52)25-27-10-3-6-14-35(27)40(41,42)43;1-42-17-5-6-32(25-42)50-31-10-8-29(9-11-31)40-37-39-24-28-22-33(34-12-7-27(23-38-34)26-13-18-43(19-14-26)51(2,3)47)36(46)45(35(28)41-37)30-15-20-44(21-16-30)52(4,48)49;1-24(2)42-15-6-7-29(23-42)43-18-14-35-32(43)30-21-25-22-36-34(39-31(25)44(33(30)45)20-19-41(4)48(5,46)47)38-27-10-8-26(9-11-27)37-28-12-16-40(3)17-13-28/h3-6,10,12-14,16-19,22-23,31,36,44H,7-9,11,15,20-21,24-25H2,1-2H3,(H,45,46,47);7-12,22-24,26,30,32H,2,5-6,13-21,25H2,1,3-4H3,(H,39,40,41);8-11,14,18,21-22,28-29,37H,1,6-7,12-13,15-17,19-20,23H2,2-5H3,(H,36,38,39)
• InChIKey: QTPATPALUDQUCN-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 371.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2133.67
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

The IUPAC name of 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide (CID 160515457) is 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide.

What is the SMILES notation for 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

The canonical SMILES for 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide is C=C(C)N1CCCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)C1.C=S(C)(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCCN(C)C6)cc5)nc4n(C4CCN(S(C)(=O)=O)CC4)c3=O)nc2)CC1.CC(=O)N1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.

What is the InChIKey of 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

The InChIKey is QTPATPALUDQUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F3N7O2.C37H48N8O5S2.C34H46N10O3S/c1-26(51)49-21-8-7-15-36(49)33-13-5-4-12-32(33)34-22-28-23-45-39(46-29-16-18-30(19-17-29)48(2)31-11-9-20-44-24-31)47-37(28)50(38(34)52)25-27-10-3-6-14-35(27)40(41,42)43;1-42-17-5-6-32(25-42)50-31-10-8-29(9-11-31)40-37-39-24-28-22-33(34-12-7-27(23-38-34)26-13-18-43(19-14-26)51(2,3)47)36(46)45(35(28)41-37)30-15-20-44(21-16-30)52(4,48)49;1-24(2)42-15-6-7-29(23-42)43-18-14-35-32(43)30-21-25-22-36-34(39-31(25)44(33(30)45)20-19-41(4)48(5,46)47)38-27-10-8-26(9-11-27)37-28-12-16-40(3)17-13-28/h3-6,10,12-14,16-19,22-23,31,36,44H,7-9,11,15,20-21,24-25H2,1-2H3,(H,45,46,47);7-12,22-24,26,30,32H,2,5-6,13-21,25H2,1,3-4H3,(H,39,40,41);8-11,14,18,21-22,28-29,37H,1,6-7,12-13,15-17,19-20,23H2,2-5H3,(H,36,38,39).

What are the key properties of 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?

6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide has a molecular weight of 2133.67 g/mol, XLogP of 15.60, 28 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-6-[1-(1-prop-1-en-2-ylpiperidin-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 160515457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).