8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C133H142F6N26O10S5 — CID 157326768

About 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 157326768) has the molecular formula C133H142F6N26O10S5 and a molecular weight of 2539.09 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 157326768
• Molecular Formula: C133H142F6N26O10S5
• Molecular Weight: 2539.09 g/mol
• Exact Mass: 2536.99
• IUPAC Name: 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: C=S(=O)(c1ccncc1)c1cnc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(-c3nccs3)c2=O)c(C)c1.C=S(c1ccccc1)c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)c(C)c1.COCCS(=O)(=O)c1ccc(C)c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)c1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(-c3ccccc3)c2=O)cccc1S(=O)(=O)CCN(C)C.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C34H30F3N5OS.C34H36N6O3S.C33H30N8O2S2.C32H38F3N7O4S.4H2/c1-22-18-28(44(2)27-6-4-3-5-7-27)12-13-29(22)30-19-25-20-39-33(41-31(25)42(32(30)43)21-34(35,36)37)40-26-10-8-23(9-11-26)24-14-16-38-17-15-24;1-23-29(10-7-11-31(23)44(42,43)19-18-39(2)3)30-20-26-22-36-34(37-27-14-12-24(13-15-27)25-16-17-35-21-25)38-32(26)40(33(30)41)28-8-5-4-6-9-28;1-21-17-27(45(2,43)26-9-13-35-14-10-26)20-37-29(21)28-18-24-19-38-32(40-30(24)41(31(28)42)33-36-15-16-44-33)39-25-5-3-22(4-6-25)23-7-11-34-12-8-23;1-21-5-7-24(47(44,45)16-15-46-4)19-25(21)26-17-22-20-37-31(39-29(22)42(30(26)43)14-13-40(2)3)38-23-6-8-28(27(18-23)32(33,34)35)41-11-9-36-10-12-41;;;;/h3-14,18-20,38H,2,15-17,21H2,1H3,(H,39,40,41);4-15,20,22,25,35H,16-19,21H2,1-3H3,(H,36,37,38);3-6,9-10,13-20,23,34H,2,7-8,11-12H2,1H3,(H,38,39,40);5-8,17-20,36H,9-16H2,1-4H3,(H,37,38,39);4*1H
• InChIKey: BEUXXIMVNIWQDV-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 430.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2539.09
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 157326768) is 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is C=S(=O)(c1ccncc1)c1cnc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(-c3nccs3)c2=O)c(C)c1.C=S(c1ccccc1)c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)c(C)c1.COCCS(=O)(=O)c1ccc(C)c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)c1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(-c3ccccc3)c2=O)cccc1S(=O)(=O)CCN(C)C.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is BEUXXIMVNIWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N5OS.C34H36N6O3S.C33H30N8O2S2.C32H38F3N7O4S.4H2/c1-22-18-28(44(2)27-6-4-3-5-7-27)12-13-29(22)30-19-25-20-39-33(41-31(25)42(32(30)43)21-34(35,36)37)40-26-10-8-23(9-11-26)24-14-16-38-17-15-24;1-23-29(10-7-11-31(23)44(42,43)19-18-39(2)3)30-20-26-22-36-34(37-27-14-12-24(13-15-27)25-16-17-35-21-25)38-32(26)40(33(30)41)28-8-5-4-6-9-28;1-21-17-27(45(2,43)26-9-13-35-14-10-26)20-37-29(21)28-18-24-19-38-32(40-30(24)41(31(28)42)33-36-15-16-44-33)39-25-5-3-22(4-6-25)23-7-11-34-12-8-23;1-21-5-7-24(47(44,45)16-15-46-4)19-25(21)26-17-22-20-37-31(39-29(22)42(30(26)43)14-13-40(2)3)38-23-6-8-28(27(18-23)32(33,34)35)41-11-9-36-10-12-41;;;;/h3-14,18-20,38H,2,15-17,21H2,1H3,(H,39,40,41);4-15,20,22,25,35H,16-19,21H2,1-3H3,(H,36,37,38);3-6,9-10,13-20,23,34H,2,7-8,11-12H2,1H3,(H,38,39,40);5-8,17-20,36H,9-16H2,1-4H3,(H,37,38,39);4*1H.

What are the key properties of 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2539.09 g/mol, XLogP of 22.73, 34 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethylsulfonyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 157326768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).