6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C123H144ClN31O7S2 — CID 159678288

About 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 159678288) has the molecular formula C123H144ClN31O7S2 and a molecular weight of 2268.30 g/mol. Its IUPAC name is 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159678288
• Molecular Formula: C123H144ClN31O7S2
• Molecular Weight: 2268.30 g/mol
• Exact Mass: 2266.10
• IUPAC Name: 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C3CCCO3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3CCN(C)CC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.Cc1cc(Nc2ncc3cc(-c4cnc(-c5ccccn5)nc4C)c(=O)n(CCN4CCOCC4)c3n2)ccc1N1CCNCC1.Cc1sc(C2CCCN2)nc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C(C)C)c1=O
• InChI: InChI=1S/C34H38N10O2.C30H33ClN6O2.C30H37N7O2S.C29H36N8OS/c1-23-19-26(6-7-30(23)43-11-9-35-10-12-43)40-34-38-21-25-20-27(28-22-37-31(39-24(28)2)29-5-3-4-8-36-29)33(45)44(32(25)41-34)14-13-42-15-17-46-18-16-42;1-3-37-28-21(17-25(29(37)38)24-11-6-20(18-26(24)31)27-5-4-16-39-27)19-32-30(34-28)33-22-7-9-23(10-8-22)36-14-12-35(2)13-15-36;1-18(2)37-27-20(16-24(29(37)38)26-19(3)40-28(34-26)25-6-5-13-31-25)17-32-30(35-27)33-21-7-9-22(10-8-21)39-23-11-14-36(4)15-12-23;1-4-37-26-21(17-24(28(37)38)25-19-30-27(39-25)20-9-11-34(2)12-10-20)18-31-29(33-26)32-22-5-7-23(8-6-22)36-15-13-35(3)14-16-36/h3-8,19-22,35H,9-18H2,1-2H3,(H,38,40,41);6-11,17-19,27H,3-5,12-16H2,1-2H3,(H,32,33,34);7-10,16-18,23,25,31H,5-6,11-15H2,1-4H3,(H,32,33,35);5-8,17-20H,4,9-16H2,1-3H3,(H,31,32,33)
• InChIKey: MUWUTCPWMWPPTL-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 381.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.30
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 159678288) is 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3CCCO3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3CCN(C)CC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.Cc1cc(Nc2ncc3cc(-c4cnc(-c5ccccn5)nc4C)c(=O)n(CCN4CCOCC4)c3n2)ccc1N1CCNCC1.Cc1sc(C2CCCN2)nc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C(C)C)c1=O.

What is the InChIKey of 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MUWUTCPWMWPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N10O2.C30H33ClN6O2.C30H37N7O2S.C29H36N8OS/c1-23-19-26(6-7-30(23)43-11-9-35-10-12-43)40-34-38-21-25-20-27(28-22-37-31(39-24(28)2)29-5-3-4-8-36-29)33(45)44(32(25)41-34)14-13-42-15-17-46-18-16-42;1-3-37-28-21(17-25(29(37)38)24-11-6-20(18-26(24)31)27-5-4-16-39-27)19-32-30(34-28)33-22-7-9-23(10-8-22)36-14-12-35(2)13-15-36;1-18(2)37-27-20(16-24(29(37)38)26-19(3)40-28(34-26)25-6-5-13-31-25)17-32-30(35-27)33-21-7-9-22(10-8-21)39-23-11-14-36(4)15-12-23;1-4-37-26-21(17-24(28(37)38)25-19-30-27(39-25)20-9-11-34(2)12-10-20)18-31-29(33-26)32-22-5-7-23(8-6-22)36-15-13-35(3)14-16-36/h3-8,19-22,35H,9-18H2,1-2H3,(H,38,40,41);6-11,17-19,27H,3-5,12-16H2,1-2H3,(H,32,33,34);7-10,16-18,23,25,31H,5-6,11-15H2,1-4H3,(H,32,33,35);5-8,17-20H,4,9-16H2,1-3H3,(H,31,32,33).

What are the key properties of 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2268.30 g/mol, XLogP of 18.58, 27 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(oxolan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159678288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).