N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

C189H203Cl2N43O8S2 — CID 160832274

IUPACN-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3ccc(NC(C)=O)nc3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4ccccc34)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(C2=S(C)CC(C3CCN(C)CC3)=N2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(C2=S(C)CC(C3CCNCC3)=N2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C36H34N6O.C33H33ClN8O2.C31H31N7O.C30H27ClN6O2.C30H40N8OS.C29H38N8OS/c1-3-42-34-28(24-37-36(39-34)38-29-15-17-30(18-16-29)41-21-19-40(2)20-22-41)23-33(35(42)43)27-13-11-26(12-14-27)32-10-6-8-25-7-4-5-9-31(25)32;1-4-42-31-24(20-36-33(39-31)38-25-7-9-26(10-8-25)41-15-13-40(3)14-16-41)17-28(32(42)44)27-11-5-22(18-29(27)34)23-6-12-30(35-19-23)37-21(2)43;1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-2-37-28-22(14-25(29(37)38)24-10-7-20(15-26(24)31)21-4-3-11-32-16-21)17-34-30(36-28)35-23-8-5-19(6-9-23)27-18-33-12-13-39-27;1-5-38-27-22(18-25(29(38)39)28-33-26(20-40(28)4)21-10-12-35(2)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(3)15-17-37;1-4-37-26-21(17-24(28(37)38)27-33-25(19-39(27)3)20-9-11-30-12-10-20)18-31-29(34-26)32-22-5-7-23(8-6-22)36-15-13-35(2)14-16-36/h4-18,23-24H,3,19-22H2,1-2H3,(H,37,38,39);5-12,17-20H,4,13-16H2,1-3H3,(H,35,37,43)(H,36,38,39);4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);6-9,18-19,21H,5,10-17,20H2,1-4H3,(H,31,32,34);5-8,17-18,20,30H,4,9-16,19H2,1-3H3,(H,31,32,34)
InChIKeySGYKCJHBXMQGLU-UHFFFAOYSA-N
MW3340.04 g/mol
LogP29.69
Rot. Bonds37

About N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160832274) has the molecular formula C189H203Cl2N43O8S2 and a molecular weight of 3340.04 g/mol. Its IUPAC name is N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound NameN-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID160832274
Molecular FormulaC189H203Cl2N43O8S2
Molecular Weight3340.04 g/mol
Exact Mass3336.56
IUPAC NameN-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3ccc(NC(C)=O)nc3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4ccccc34)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(C2=S(C)CC(C3CCN(C)CC3)=N2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(C2=S(C)CC(C3CCNCC3)=N2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C36H34N6O.C33H33ClN8O2.C31H31N7O.C30H27ClN6O2.C30H40N8OS.C29H38N8OS/c1-3-42-34-28(24-37-36(39-34)38-29-15-17-30(18-16-29)41-21-19-40(2)20-22-41)23-33(35(42)43)27-13-11-26(12-14-27)32-10-6-8-25-7-4-5-9-31(25)32;1-4-42-31-24(20-36-33(39-31)38-25-7-9-26(10-8-25)41-15-13-40(3)14-16-41)17-28(32(42)44)27-11-5-22(18-29(27)34)23-6-12-30(35-19-23)37-21(2)43;1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-2-37-28-22(14-25(29(37)38)24-10-7-20(15-26(24)31)21-4-3-11-32-16-21)17-34-30(36-28)35-23-8-5-19(6-9-23)27-18-33-12-13-39-27;1-5-38-27-22(18-25(29(38)39)28-33-26(20-40(28)4)21-10-12-35(2)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(3)15-17-37;1-4-37-26-21(17-24(28(37)38)27-33-25(19-39(27)3)20-9-11-30-12-10-20)18-31-29(34-26)32-22-5-7-23(8-6-22)36-15-13-35(2)14-16-36/h4-18,23-24H,3,19-22H2,1-2H3,(H,37,38,39);5-12,17-20H,4,13-16H2,1-3H3,(H,35,37,43)(H,36,38,39);4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);6-9,18-19,21H,5,10-17,20H2,1-4H3,(H,31,32,34);5-8,17-18,20,30H,4,9-16,19H2,1-3H3,(H,31,32,34)
InChIKeySGYKCJHBXMQGLU-UHFFFAOYSA-N
XLogP29.69
TPSA520.28 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds37
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003340.04
LogP ≤ 529.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 160832274) is N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc(NC(C)=O)nc3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4ccccc34)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(C2=S(C)CC(C3CCN(C)CC3)=N2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(C2=S(C)CC(C3CCNCC3)=N2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SGYKCJHBXMQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O.C33H33ClN8O2.C31H31N7O.C30H27ClN6O2.C30H40N8OS.C29H38N8OS/c1-3-42-34-28(24-37-36(39-34)38-29-15-17-30(18-16-29)41-21-19-40(2)20-22-41)23-33(35(42)43)27-13-11-26(12-14-27)32-10-6-8-25-7-4-5-9-31(25)32;1-4-42-31-24(20-36-33(39-31)38-25-7-9-26(10-8-25)41-15-13-40(3)14-16-41)17-28(32(42)44)27-11-5-22(18-29(27)34)23-6-12-30(35-19-23)37-21(2)43;1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-2-37-28-22(14-25(29(37)38)24-10-7-20(15-26(24)31)21-4-3-11-32-16-21)17-34-30(36-28)35-23-8-5-19(6-9-23)27-18-33-12-13-39-27;1-5-38-27-22(18-25(29(38)39)28-33-26(20-40(28)4)21-10-12-35(2)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(3)15-17-37;1-4-37-26-21(17-24(28(37)38)27-33-25(19-39(27)3)20-9-11-30-12-10-20)18-31-29(34-26)32-22-5-7-23(8-6-22)36-15-13-35(2)14-16-36/h4-18,23-24H,3,19-22H2,1-2H3,(H,37,38,39);5-12,17-20H,4,13-16H2,1-3H3,(H,35,37,43)(H,36,38,39);4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);6-9,18-19,21H,5,10-17,20H2,1-4H3,(H,31,32,34);5-8,17-18,20,30H,4,9-16,19H2,1-3H3,(H,31,32,34).
What are the key properties of N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3340.04 g/mol, XLogP of 29.69, 37 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-methyl-4-(1-methylpiperidin-4-yl)-5H-1,3-thiazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-5H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160832274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).