6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C192H189Cl4F3N40O10 — CID 160782302

IUPAC6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)c1cc(-c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CC)c3=O)c(Cl)c2)ccn1.CCC(=O)c1cc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc4n(CC)c3=O)c(Cl)c2)ccn1.CCn1c(=O)c(-c2ccc(-c3ccccc3C)cc2F)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnccn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2F)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C35H35ClN6O2.C34H34ClN7O2.C34H34FN5O.C31H30ClN7O.C30H30FN7O2.C28H26ClFN8O2/c1-4-32(43)31-20-25(12-15-37-31)24-8-11-28(30(36)19-24)29-18-26-21-38-35(40-33(26)42(5-2)34(29)44)39-27-9-6-22(7-10-27)23-13-16-41(3)17-14-23;1-4-31(43)30-20-23(12-13-36-30)22-6-11-27(29(35)19-22)28-18-24-21-37-34(39-32(24)42(5-2)33(28)44)38-25-7-9-26(10-8-25)41-16-14-40(3)15-17-41;1-4-40-32-26(19-30(33(40)41)29-14-11-25(20-31(29)35)28-8-6-5-7-22(28)2)21-36-34(38-32)37-27-12-9-23(10-13-27)24-15-17-39(3)18-16-24;1-3-39-29-23(16-26(30(39)40)25-9-6-22(17-27(25)32)28-19-33-12-13-34-28)18-35-31(37-29)36-24-7-4-20(5-8-24)21-10-14-38(2)15-11-21;1-4-38-28-22(15-25(29(38)39)24-10-7-21(16-26(24)31)27-33-18(2)40-36-27)17-32-30(35-28)34-23-8-5-19(6-9-23)20-11-13-37(3)14-12-20;1-3-38-26-18(12-21(27(38)39)20-6-4-17(13-22(20)29)25-33-16(2)40-36-25)15-32-28(35-26)34-19-5-7-24(23(30)14-19)37-10-8-31-9-11-37/h6-12,15,18-21,23H,4-5,13-14,16-17H2,1-3H3,(H,38,39,40);6-13,18-21H,4-5,14-17H2,1-3H3,(H,37,38,39);5-14,19-21,24H,4,15-18H2,1-3H3,(H,36,37,38);4-9,12-13,16-19,21H,3,10-11,14-15H2,1-2H3,(H,35,36,37);5-10,15-17,20H,4,11-14H2,1-3H3,(H,32,34,35);4-7,12-15,31H,3,8-11H2,1-2H3,(H,32,34,35)
InChIKeySASUSHVWWDGFKD-UHFFFAOYSA-N
MW3415.70 g/mol
LogP37.22
Rot. Bonds40

About 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160782302) has the molecular formula C192H189Cl4F3N40O10 and a molecular weight of 3415.70 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID160782302
Molecular FormulaC192H189Cl4F3N40O10
Molecular Weight3415.70 g/mol
Exact Mass3411.42
IUPAC Name6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)c1cc(-c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CC)c3=O)c(Cl)c2)ccn1.CCC(=O)c1cc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc4n(CC)c3=O)c(Cl)c2)ccn1.CCn1c(=O)c(-c2ccc(-c3ccccc3C)cc2F)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnccn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2F)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C35H35ClN6O2.C34H34ClN7O2.C34H34FN5O.C31H30ClN7O.C30H30FN7O2.C28H26ClFN8O2/c1-4-32(43)31-20-25(12-15-37-31)24-8-11-28(30(36)19-24)29-18-26-21-38-35(40-33(26)42(5-2)34(29)44)39-27-9-6-22(7-10-27)23-13-16-41(3)17-14-23;1-4-31(43)30-20-23(12-13-36-30)22-6-11-27(29(35)19-22)28-18-24-21-37-34(39-32(24)42(5-2)33(28)44)38-25-7-9-26(10-8-25)41-16-14-40(3)15-17-41;1-4-40-32-26(19-30(33(40)41)29-14-11-25(20-31(29)35)28-8-6-5-7-22(28)2)21-36-34(38-32)37-27-12-9-23(10-13-27)24-15-17-39(3)18-16-24;1-3-39-29-23(16-26(30(39)40)25-9-6-22(17-27(25)32)28-19-33-12-13-34-28)18-35-31(37-29)36-24-7-4-20(5-8-24)21-10-14-38(2)15-11-21;1-4-38-28-22(15-25(29(38)39)24-10-7-21(16-26(24)31)27-33-18(2)40-36-27)17-32-30(35-28)34-23-8-5-19(6-9-23)20-11-13-37(3)14-12-20;1-3-38-26-18(12-21(27(38)39)20-6-4-17(13-22(20)29)25-33-16(2)40-36-25)15-32-28(35-26)34-19-5-7-24(23(30)14-19)37-10-8-31-9-11-37/h6-12,15,18-21,23H,4-5,13-14,16-17H2,1-3H3,(H,38,39,40);6-13,18-21H,4-5,14-17H2,1-3H3,(H,37,38,39);5-14,19-21,24H,4,15-18H2,1-3H3,(H,36,37,38);4-9,12-13,16-19,21H,3,10-11,14-15H2,1-2H3,(H,35,36,37);5-10,15-17,20H,4,11-14H2,1-3H3,(H,32,34,35);4-7,12-15,31H,3,8-11H2,1-2H3,(H,32,34,35)
InChIKeySASUSHVWWDGFKD-UHFFFAOYSA-N
XLogP37.22
TPSA557.11 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds40
Heavy Atoms249
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003415.70
LogP ≤ 537.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 160782302) is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCC(=O)c1cc(-c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CC)c3=O)c(Cl)c2)ccn1.CCC(=O)c1cc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc4n(CC)c3=O)c(Cl)c2)ccn1.CCn1c(=O)c(-c2ccc(-c3ccccc3C)cc2F)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnccn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2F)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SASUSHVWWDGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN6O2.C34H34ClN7O2.C34H34FN5O.C31H30ClN7O.C30H30FN7O2.C28H26ClFN8O2/c1-4-32(43)31-20-25(12-15-37-31)24-8-11-28(30(36)19-24)29-18-26-21-38-35(40-33(26)42(5-2)34(29)44)39-27-9-6-22(7-10-27)23-13-16-41(3)17-14-23;1-4-31(43)30-20-23(12-13-36-30)22-6-11-27(29(35)19-22)28-18-24-21-37-34(39-32(24)42(5-2)33(28)44)38-25-7-9-26(10-8-25)41-16-14-40(3)15-17-41;1-4-40-32-26(19-30(33(40)41)29-14-11-25(20-31(29)35)28-8-6-5-7-22(28)2)21-36-34(38-32)37-27-12-9-23(10-13-27)24-15-17-39(3)18-16-24;1-3-39-29-23(16-26(30(39)40)25-9-6-22(17-27(25)32)28-19-33-12-13-34-28)18-35-31(37-29)36-24-7-4-20(5-8-24)21-10-14-38(2)15-11-21;1-4-38-28-22(15-25(29(38)39)24-10-7-21(16-26(24)31)27-33-18(2)40-36-27)17-32-30(35-28)34-23-8-5-19(6-9-23)20-11-13-37(3)14-12-20;1-3-38-26-18(12-21(27(38)39)20-6-4-17(13-22(20)29)25-33-16(2)40-36-25)15-32-28(35-26)34-19-5-7-24(23(30)14-19)37-10-8-31-9-11-37/h6-12,15,18-21,23H,4-5,13-14,16-17H2,1-3H3,(H,38,39,40);6-13,18-21H,4-5,14-17H2,1-3H3,(H,37,38,39);5-14,19-21,24H,4,15-18H2,1-3H3,(H,36,37,38);4-9,12-13,16-19,21H,3,10-11,14-15H2,1-2H3,(H,35,36,37);5-10,15-17,20H,4,11-14H2,1-3H3,(H,32,34,35);4-7,12-15,31H,3,8-11H2,1-2H3,(H,32,34,35).
What are the key properties of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3415.70 g/mol, XLogP of 37.22, 40 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyrazin-2-ylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-fluoro-4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160782302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).