6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride

C129H137Cl3F3N25O5S5 — CID 162043983

About 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride

6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 162043983) has the molecular formula C129H137Cl3F3N25O5S5 and a molecular weight of 2441.37 g/mol. Its IUPAC name is 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

• Compound Name: 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
• PubChem CID: 162043983
• Molecular Formula: C129H137Cl3F3N25O5S5
• Molecular Weight: 2441.37 g/mol
• Exact Mass: 2437.89
• IUPAC Name: 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
• SMILES: CCn1c(=O)c(-c2nc(-c3ccsc3)sc2C)cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc21.CN(C)CCn1c(=O)c(-c2ccc(C3CCCCC3)cc2Cl)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(-c5nccs5)cc4C(F)(F)F)c(=O)n(C4CCOC4)c3n2)cc1)C1CCNCC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(-c5ccc(-c6cscn6)cc5Cl)c(=O)n(CC5CC5)c4n3)cc2)C1.Cl
• InChI: InChI=1S/C35H44ClN7O.C33H33ClN6OS.C33H32F3N7O2S.C28H27N5OS3.ClH/c1-41(2)18-19-43-33-26(20-31(34(43)44)30-16-11-25(21-32(30)36)24-8-5-4-6-9-24)22-38-35(40-33)39-27-12-14-28(15-13-27)42(3)29-10-7-17-37-23-29;1-39-12-2-3-23(17-39)13-21-6-9-26(10-7-21)37-33-35-16-25-14-28(32(41)40(31(25)38-33)18-22-4-5-22)27-11-8-24(15-29(27)34)30-19-42-20-36-30;1-42(24-8-11-37-12-9-24)23-5-3-22(4-6-23)40-32-39-18-21-16-27(31(44)43(29(21)41-32)25-10-14-45-19-25)26-7-2-20(30-38-13-15-46-30)17-28(26)33(34,35)36;1-3-33-25-20(14-22(27(33)34)24-17(2)37-26(31-24)19-11-13-35-16-19)15-29-28(32-25)30-21-9-7-18(8-10-21)23-6-4-5-12-36-23;/h11-16,20-22,24,29,37H,4-10,17-19,23H2,1-3H3,(H,38,39,40);6-11,14-16,19-20,22-23H,2-5,12-13,17-18H2,1H3,(H,35,37,38);2-7,13,15-18,24-25,37H,8-12,14,19H2,1H3,(H,39,40,41);7-11,13-16,23H,3-6,12H2,1-2H3,(H,29,30,32);1H
• InChIKey: OXJDFOCYIPEYMU-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 324.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.37
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

The IUPAC name of 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 162043983) is 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

What is the SMILES notation for 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

The canonical SMILES for 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is CCn1c(=O)c(-c2nc(-c3ccsc3)sc2C)cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc21.CN(C)CCn1c(=O)c(-c2ccc(C3CCCCC3)cc2Cl)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(-c5nccs5)cc4C(F)(F)F)c(=O)n(C4CCOC4)c3n2)cc1)C1CCNCC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(-c5ccc(-c6cscn6)cc5Cl)c(=O)n(CC5CC5)c4n3)cc2)C1.Cl.

What is the InChIKey of 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

The InChIKey is OXJDFOCYIPEYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44ClN7O.C33H33ClN6OS.C33H32F3N7O2S.C28H27N5OS3.ClH/c1-41(2)18-19-43-33-26(20-31(34(43)44)30-16-11-25(21-32(30)36)24-8-5-4-6-9-24)22-38-35(40-33)39-27-12-14-28(15-13-27)42(3)29-10-7-17-37-23-29;1-39-12-2-3-23(17-39)13-21-6-9-26(10-7-21)37-33-35-16-25-14-28(32(41)40(31(25)38-33)18-22-4-5-22)27-11-8-24(15-29(27)34)30-19-42-20-36-30;1-42(24-8-11-37-12-9-24)23-5-3-22(4-6-23)40-32-39-18-21-16-27(31(44)43(29(21)41-32)25-10-14-45-19-25)26-7-2-20(30-38-13-15-46-30)17-28(26)33(34,35)36;1-3-33-25-20(14-22(27(33)34)24-17(2)37-26(31-24)19-11-13-35-16-19)15-29-28(32-25)30-21-9-7-18(8-10-21)23-6-4-5-12-36-23;/h11-16,20-22,24,29,37H,4-10,17-19,23H2,1-3H3,(H,38,39,40);6-11,14-16,19-20,22-23H,2-5,12-13,17-18H2,1H3,(H,35,37,38);2-7,13,15-18,24-25,37H,8-12,14,19H2,1H3,(H,39,40,41);7-11,13-16,23H,3-6,12H2,1-2H3,(H,29,30,32);1H.

What are the key properties of 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 2441.37 g/mol, XLogP of 28.52, 30 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-cyclohexylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-(cyclopropylmethyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 162043983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).