8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C127H146ClF3N32O12S5 — CID 159572276

About 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159572276) has the molecular formula C127H146ClF3N32O12S5 and a molecular weight of 2565.56 g/mol. Its IUPAC name is 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159572276
• Molecular Formula: C127H146ClF3N32O12S5
• Molecular Weight: 2565.56 g/mol
• Exact Mass: 2563.00
• IUPAC Name: 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2nnn(C)c2S(=O)CCN(C)C)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(Cc2nn(C)cc2S(=O)(=O)C2CCCC2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccsc2S(=O)(=O)c2ccccc2)c1=O.COCCS(=O)(=O)c1cnncc1Cn1c(=O)c(-c2ccc(C)cc2Cl)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21
• InChI: InChI=1S/C33H41F3N8O3S.C33H34N6O3S2.C32H33ClN8O4S.C29H38N10O2S/c1-4-21(5-2)25-16-22-18-38-32(39-23-10-11-28(26(17-23)33(34,35)36)43-14-12-37-13-15-43)40-30(22)44(31(25)45)19-27-29(20-42(3)41-27)48(46,47)24-8-6-7-9-24;1-3-38(4-2)29-20-26-21-35-33(36-27-12-10-23(11-13-27)24-14-17-34-18-15-24)37-30(26)39(31(29)40)22-25-16-19-43-32(25)44(41,42)28-8-6-5-7-9-28;1-20-3-8-26(28(33)13-20)27-14-21-15-35-32(39-24-6-4-23(5-7-24)38-25-9-10-34-17-25)40-30(21)41(31(27)42)19-22-16-36-37-18-29(22)46(43,44)12-11-45-2;1-19(37(4)5)24-15-22-17-31-29(32-23-9-7-20(8-10-23)21-11-12-30-16-21)33-26(22)39(27(24)40)18-25-28(38(6)35-34-25)42(41)14-13-36(2)3/h10-11,16-18,20-21,24,37H,4-9,12-15,19H2,1-3H3,(H,38,39,40);5-14,16,19-21,34H,3-4,15,17-18,22H2,1-2H3,(H,35,36,37);3-8,13-16,18,25,34,38H,9-12,17,19H2,1-2H3,(H,35,39,40);7-10,15,17,21,30H,1,11-14,16,18H2,2-6H3,(H,31,32,33)
• InChIKey: MHYYBYCFXLFGKC-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 515.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 42
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.56
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159572276) is 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2nnn(C)c2S(=O)CCN(C)C)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(Cc2nn(C)cc2S(=O)(=O)C2CCCC2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccsc2S(=O)(=O)c2ccccc2)c1=O.COCCS(=O)(=O)c1cnncc1Cn1c(=O)c(-c2ccc(C)cc2Cl)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21.

What is the InChIKey of 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MHYYBYCFXLFGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N8O3S.C33H34N6O3S2.C32H33ClN8O4S.C29H38N10O2S/c1-4-21(5-2)25-16-22-18-38-32(39-23-10-11-28(26(17-23)33(34,35)36)43-14-12-37-13-15-43)40-30(22)44(31(25)45)19-27-29(20-42(3)41-27)48(46,47)24-8-6-7-9-24;1-3-38(4-2)29-20-26-21-35-33(36-27-12-10-23(11-13-27)24-14-17-34-18-15-24)37-30(26)39(31(29)40)22-25-16-19-43-32(25)44(41,42)28-8-6-5-7-9-28;1-20-3-8-26(28(33)13-20)27-14-21-15-35-32(39-24-6-4-23(5-7-24)38-25-9-10-34-17-25)40-30(21)41(31(27)42)19-22-16-36-37-18-29(22)46(43,44)12-11-45-2;1-19(37(4)5)24-15-22-17-31-29(32-23-9-7-20(8-10-23)21-11-12-30-16-21)33-26(22)39(27(24)40)18-25-28(38(6)35-34-25)42(41)14-13-36(2)3/h10-11,16-18,20-21,24,37H,4-9,12-15,19H2,1-3H3,(H,38,39,40);5-14,16,19-21,34H,3-4,15,17-18,22H2,1-2H3,(H,35,36,37);3-8,13-16,18,25,34,38H,9-12,17,19H2,1-2H3,(H,35,39,40);7-10,15,17,21,30H,1,11-14,16,18H2,2-6H3,(H,31,32,33).

What are the key properties of 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2565.56 g/mol, XLogP of 17.25, 42 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(benzenesulfonyl)thiophen-3-yl]methyl]-6-(diethylamino)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[5-(2-methoxyethylsulfonyl)pyridazin-4-yl]methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentylsulfonyl-1-methylpyrazol-3-yl)methyl]-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[5-[2-(dimethylamino)ethylsulfinyl]-1-methyltriazol-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159572276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).