6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C175H180Cl4FN51O6 — CID 160804697

IUPAC6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CC(C)NC(C)C4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)nc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cn2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)nc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C31H33ClN8O.C29H28ClFN8O.C29H29ClN8O.2C29H31N9O.C28H28ClN9O/c1-5-40-29-22(12-26(30(40)41)25-11-6-21(13-27(25)32)28-33-14-18(2)36-28)15-34-31(38-29)37-23-7-9-24(10-8-23)39-16-19(3)35-20(4)17-39;1-3-39-27-19(12-22(28(39)40)21-6-4-18(13-23(21)30)26-33-15-17(2)35-26)16-34-29(37-27)36-20-5-7-25(24(31)14-20)38-10-8-32-9-11-38;1-3-38-27-20(14-24(28(38)39)23-9-4-19(15-25(23)30)26-32-16-18(2)34-26)17-33-29(36-27)35-21-5-7-22(8-6-21)37-12-10-31-11-13-37;1-4-38-27-21(15-24(28(38)39)25-10-5-20(17-30-25)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-4-38-27-21(15-24(28(38)39)20-5-10-25(30-17-20)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-3-38-26-19(12-22(27(38)39)21-6-4-18(13-23(21)29)25-32-14-17(2)34-25)15-33-28(36-26)35-20-5-7-24(31-16-20)37-10-8-30-9-11-37/h6-13,15,19-20,35H,5,14,16-17H2,1-4H3,(H,34,37,38);4-7,12-14,16,32H,3,8-11,15H2,1-2H3,(H,34,36,37);4-9,14-15,17,31H,3,10-13,16H2,1-2H3,(H,33,35,36);2*5-10,15,17-18H,4,11-14,16H2,1-3H3,(H,32,34,35);4-7,12-13,15-16,30H,3,8-11,14H2,1-2H3,(H,33,35,36)
InChIKeySDNNOACWPTZCPB-UHFFFAOYSA-N
MW3254.53 g/mol
LogP25.52
Rot. Bonds36

About 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160804697) has the molecular formula C175H180Cl4FN51O6 and a molecular weight of 3254.53 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID160804697
Molecular FormulaC175H180Cl4FN51O6
Molecular Weight3254.53 g/mol
Exact Mass3250.41
IUPAC Name6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CC(C)NC(C)C4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)nc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cn2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)nc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C31H33ClN8O.C29H28ClFN8O.C29H29ClN8O.2C29H31N9O.C28H28ClN9O/c1-5-40-29-22(12-26(30(40)41)25-11-6-21(13-27(25)32)28-33-14-18(2)36-28)15-34-31(38-29)37-23-7-9-24(10-8-23)39-16-19(3)35-20(4)17-39;1-3-39-27-19(12-22(28(39)40)21-6-4-18(13-23(21)30)26-33-15-17(2)35-26)16-34-29(37-27)36-20-5-7-25(24(31)14-20)38-10-8-32-9-11-38;1-3-38-27-20(14-24(28(38)39)23-9-4-19(15-25(23)30)26-32-16-18(2)34-26)17-33-29(36-27)35-21-5-7-22(8-6-21)37-12-10-31-11-13-37;1-4-38-27-21(15-24(28(38)39)25-10-5-20(17-30-25)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-4-38-27-21(15-24(28(38)39)20-5-10-25(30-17-20)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-3-38-26-19(12-22(27(38)39)21-6-4-18(13-23(21)29)25-32-14-17(2)34-25)15-33-28(36-26)35-20-5-7-24(31-16-20)37-10-8-30-9-11-37/h6-13,15,19-20,35H,5,14,16-17H2,1-4H3,(H,34,37,38);4-7,12-14,16,32H,3,8-11,15H2,1-2H3,(H,34,36,37);4-9,14-15,17,31H,3,10-13,16H2,1-2H3,(H,33,35,36);2*5-10,15,17-18H,4,11-14,16H2,1-3H3,(H,32,34,35);4-7,12-13,15-16,30H,3,8-11,14H2,1-2H3,(H,33,35,36)
InChIKeySDNNOACWPTZCPB-UHFFFAOYSA-N
XLogP25.52
TPSA619.89 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds36
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003254.53
LogP ≤ 525.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 160804697) is 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CC(C)NC(C)C4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)nc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cn2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)nc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SDNNOACWPTZCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O.C29H28ClFN8O.C29H29ClN8O.2C29H31N9O.C28H28ClN9O/c1-5-40-29-22(12-26(30(40)41)25-11-6-21(13-27(25)32)28-33-14-18(2)36-28)15-34-31(38-29)37-23-7-9-24(10-8-23)39-16-19(3)35-20(4)17-39;1-3-39-27-19(12-22(28(39)40)21-6-4-18(13-23(21)30)26-33-15-17(2)35-26)16-34-29(37-27)36-20-5-7-25(24(31)14-20)38-10-8-32-9-11-38;1-3-38-27-20(14-24(28(38)39)23-9-4-19(15-25(23)30)26-32-16-18(2)34-26)17-33-29(36-27)35-21-5-7-22(8-6-21)37-12-10-31-11-13-37;1-4-38-27-21(15-24(28(38)39)25-10-5-20(17-30-25)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-4-38-27-21(15-24(28(38)39)20-5-10-25(30-17-20)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-3-38-26-19(12-22(27(38)39)21-6-4-18(13-23(21)29)25-32-14-17(2)34-25)15-33-28(36-26)35-20-5-7-24(31-16-20)37-10-8-30-9-11-37/h6-13,15,19-20,35H,5,14,16-17H2,1-4H3,(H,34,37,38);4-7,12-14,16,32H,3,8-11,15H2,1-2H3,(H,34,36,37);4-9,14-15,17,31H,3,10-13,16H2,1-2H3,(H,33,35,36);2*5-10,15,17-18H,4,11-14,16H2,1-3H3,(H,32,34,35);4-7,12-13,15-16,30H,3,8-11,14H2,1-2H3,(H,33,35,36).
What are the key properties of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3254.53 g/mol, XLogP of 25.52, 36 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-2-[4-(3,5-dimethylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-4H-imidazol-2-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160804697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).