2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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

C135H138F5N25O9S5 — CID 161294531

About 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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

2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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 (PubChem CID 161294531) has the molecular formula C135H138F5N25O9S5 and a molecular weight of 2510.08 g/mol. Its IUPAC name is 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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.

Molecular Properties

• Compound Name: 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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
• PubChem CID: 161294531
• Molecular Formula: C135H138F5N25O9S5
• Molecular Weight: 2510.08 g/mol
• Exact Mass: 2507.96
• IUPAC Name: 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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
• SMILES: C=S(=O)(CCOC)c1ccc(C)c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)c1.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)c2=O)c(C)c1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCC5)cc4)nc3n(-c3ccccc3)c2=O)cccc1S(=O)(=O)CCN(C)C
• InChI: InChI=1S/C35H37N5O3S.C34H31F2N5OS.C33H40F3N7O3S.C33H30N8O2S2/c1-24-30(14-9-15-32(24)44(42,43)21-20-39(2)3)31-22-27-23-36-35(37-28-18-16-26(17-19-28)25-10-7-8-11-25)38-33(27)40(34(31)41)29-12-5-4-6-13-29;1-22-18-28(43(2)27-6-4-3-5-7-27)12-13-29(22)30-19-25-20-38-34(40-32(25)41(33(30)42)21-31(35)36)39-26-10-8-23(9-11-26)24-14-16-37-17-15-24;1-22-6-8-25(47(5,45)17-16-46-4)20-26(22)27-18-23-21-38-32(40-30(23)43(31(27)44)15-14-41(2)3)39-24-7-9-29(28(19-24)33(34,35)36)42-12-10-37-11-13-42;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/h4-6,9,12-19,22-23,25H,7-8,10-11,20-21H2,1-3H3,(H,36,37,38);3-14,18-20,31,37H,2,15-17,21H2,1H3,(H,38,39,40);6-9,18-21,37H,5,10-17H2,1-4H3,(H,38,39,40);3-6,9-10,13-20,23,34H,2,7-8,11-12H2,1H3,(H,38,39,40)
• InChIKey: VGUJJCXQDCTGPV-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 401.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2510.08
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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?

The IUPAC name of 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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 (CID 161294531) is 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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.

What is the SMILES notation for 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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?

The canonical SMILES for 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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 is C=S(=O)(CCOC)c1ccc(C)c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)c1.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)c2=O)c(C)c1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCC5)cc4)nc3n(-c3ccccc3)c2=O)cccc1S(=O)(=O)CCN(C)C.

What is the InChIKey of 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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?

The InChIKey is VGUJJCXQDCTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O3S.C34H31F2N5OS.C33H40F3N7O3S.C33H30N8O2S2/c1-24-30(14-9-15-32(24)44(42,43)21-20-39(2)3)31-22-27-23-36-35(37-28-18-16-26(17-19-28)25-10-7-8-11-25)38-33(27)40(34(31)41)29-12-5-4-6-13-29;1-22-18-28(43(2)27-6-4-3-5-7-27)12-13-29(22)30-19-25-20-38-34(40-32(25)41(33(30)42)21-31(35)36)39-26-10-8-23(9-11-26)24-14-16-37-17-15-24;1-22-6-8-25(47(5,45)17-16-46-4)20-26(22)27-18-23-21-38-32(40-30(23)43(31(27)44)15-14-41(2)3)39-24-7-9-29(28(19-24)33(34,35)36)42-12-10-37-11-13-42;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/h4-6,9,12-19,22-23,25H,7-8,10-11,20-21H2,1-3H3,(H,36,37,38);3-14,18-20,31,37H,2,15-17,21H2,1H3,(H,38,39,40);6-9,18-21,37H,5,10-17H2,1-4H3,(H,38,39,40);3-6,9-10,13-20,23,34H,2,7-8,11-12H2,1H3,(H,38,39,40).

What are the key properties of 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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?

2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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 has a molecular weight of 2510.08 g/mol, XLogP of 23.33, 35 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopentylanilino)-6-[3-[2-(dimethylamino)ethylsulfonyl]-2-methylphenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(2,2-difluoroethyl)-6-[2-methyl-4-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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 is sourced from PubChem (CID 161294531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).