6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate

C121H124Br3Cl3N34O11S2 — CID 157359827

About 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate

6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate (PubChem CID 157359827) has the molecular formula C121H124Br3Cl3N34O11S2 and a molecular weight of 2640.75 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate.

Molecular Properties

• Compound Name: 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate
• PubChem CID: 157359827
• Molecular Formula: C121H124Br3Cl3N34O11S2
• Molecular Weight: 2640.75 g/mol
• Exact Mass: 2634.62
• IUPAC Name: 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate
• SMILES: CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(Br)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(Br)cc2cnc(S(C)=O)nc21.CCn1c(=O)c(Br)cc2cnc(SC)nc21.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(C(=O)NN)cc5Cl)c(=O)n(C)c4n3)cc2)CC1.COC(=O)c1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C)c2=O)c(Cl)c1
• InChI: InChI=1S/C28H27ClN8O2.C27H27ClN6O3.C26H27ClN8O2.C20H23BrN6O.C10H10BrN3O2S.C10H10BrN3OS/c1-3-37-25-19(14-23(27(37)38)22-9-4-18(15-24(22)29)26-34-31-17-39-26)16-30-28(33-25)32-20-5-7-21(8-6-20)36-12-10-35(2)11-13-36;1-32-10-12-34(13-11-32)20-7-5-19(6-8-20)30-27-29-16-18-14-22(25(35)33(2)24(18)31-27)21-9-4-17(15-23(21)28)26(36)37-3;1-33-9-11-35(12-10-33)19-6-4-18(5-7-19)30-26-29-15-17-13-21(25(37)34(2)23(17)31-26)20-8-3-16(14-22(20)27)24(36)32-28;1-3-27-18-14(12-17(21)19(27)28)13-22-20(24-18)23-15-4-6-16(7-5-15)26-10-8-25(2)9-11-26;1-3-14-8-6(4-7(11)9(14)15)5-12-10(13-8)17(2)16;1-3-14-8-6(4-7(11)9(14)15)5-12-10(13-8)16-2/h4-9,14-17H,3,10-13H2,1-2H3,(H,30,32,33);4-9,14-16H,10-13H2,1-3H3,(H,29,30,31);3-8,13-15H,9-12,28H2,1-2H3,(H,32,36)(H,29,30,31);4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,24);4-5H,3H2,1-2H3;4-5H,3H2,1-2H3
• InChIKey: BIMSYGAHTBASBV-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 498.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2640.75
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate?

The IUPAC name of 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate (CID 157359827) is 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate.

What is the SMILES notation for 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate?

The canonical SMILES for 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate is CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(Br)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(Br)cc2cnc(S(C)=O)nc21.CCn1c(=O)c(Br)cc2cnc(SC)nc21.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(C(=O)NN)cc5Cl)c(=O)n(C)c4n3)cc2)CC1.COC(=O)c1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C)c2=O)c(Cl)c1.

What is the InChIKey of 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate?

The InChIKey is BIMSYGAHTBASBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN8O2.C27H27ClN6O3.C26H27ClN8O2.C20H23BrN6O.C10H10BrN3O2S.C10H10BrN3OS/c1-3-37-25-19(14-23(27(37)38)22-9-4-18(15-24(22)29)26-34-31-17-39-26)16-30-28(33-25)32-20-5-7-21(8-6-20)36-12-10-35(2)11-13-36;1-32-10-12-34(13-11-32)20-7-5-19(6-8-20)30-27-29-16-18-14-22(25(35)33(2)24(18)31-27)21-9-4-17(15-23(21)28)26(36)37-3;1-33-9-11-35(12-10-33)19-6-4-18(5-7-19)30-26-29-15-17-13-21(25(37)34(2)23(17)31-26)20-8-3-16(14-22(20)27)24(36)32-28;1-3-27-18-14(12-17(21)19(27)28)13-22-20(24-18)23-15-4-6-16(7-5-15)26-10-8-25(2)9-11-26;1-3-14-8-6(4-7(11)9(14)15)5-12-10(13-8)17(2)16;1-3-14-8-6(4-7(11)9(14)15)5-12-10(13-8)16-2/h4-9,14-17H,3,10-13H2,1-2H3,(H,30,32,33);4-9,14-16H,10-13H2,1-3H3,(H,29,30,31);3-8,13-15H,9-12,28H2,1-2H3,(H,32,36)(H,29,30,31);4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,24);4-5H,3H2,1-2H3;4-5H,3H2,1-2H3.

What are the key properties of 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate?

6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate has a molecular weight of 2640.75 g/mol, XLogP of 18.03, 24 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzohydrazide;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methyl 3-chloro-4-[8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzoate is sourced from PubChem (CID 157359827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).