6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one

C177H179Cl2N37O8S6 — CID 161358305

IUPAC6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nccs3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2csc(C)n2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C31H31N7O.C30H28ClN5O2S.C30H31N7OS.C30H36N6OS.C29H26ClN5O2S.C27H27N7OS2/c1-3-38-29-23(20-28(30(38)39)27-7-5-4-6-26(27)22-12-14-32-15-13-22)21-33-31(35-29)34-24-8-10-25(11-9-24)37-18-16-36(2)17-19-37;1-3-36-28-21(15-24(29(36)37)23-11-8-20(16-25(23)31)27-5-4-14-39-27)17-32-30(34-28)33-22-9-6-19(7-10-22)26-18-35(2)12-13-38-26;1-4-37-28-21(17-26(29(37)38)24-7-5-6-8-25(24)27-19-39-20(2)32-27)18-31-30(34-28)33-22-9-11-23(12-10-22)36-15-13-35(3)14-16-36;1-3-36-28-22(19-25(29(36)37)27-14-13-26(38-27)21-7-5-4-6-8-21)20-31-30(33-28)32-23-9-11-24(12-10-23)35-17-15-34(2)16-18-35;1-2-35-27-20(14-23(28(35)36)22-10-7-19(15-24(22)30)26-4-3-13-38-26)16-32-29(34-27)33-21-8-5-18(6-9-21)25-17-31-11-12-37-25;1-3-34-24-18(16-21(26(34)35)22-8-9-23(37-22)25-28-10-15-36-25)17-29-27(31-24)30-19-4-6-20(7-5-19)33-13-11-32(2)12-14-33/h4-15,20-21H,3,16-19H2,1-2H3,(H,33,34,35);4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,32,33,34);5-12,17-19H,4,13-16H2,1-3H3,(H,31,33,34);9-14,19-21H,3-8,15-18H2,1-2H3,(H,31,32,33);3-10,13-16,25,31H,2,11-12,17H2,1H3,(H,32,33,34);4-10,15-17H,3,11-14H2,1-2H3,(H,29,30,31)
InChIKeyVOVIYKDMFWJPDM-UHFFFAOYSA-N
MW3215.94 g/mol
LogP34.56
Rot. Bonds36

About 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161358305) has the molecular formula C177H179Cl2N37O8S6 and a molecular weight of 3215.94 g/mol. Its IUPAC name is 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID161358305
Molecular FormulaC177H179Cl2N37O8S6
Molecular Weight3215.94 g/mol
Exact Mass3212.24
IUPAC Name6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nccs3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2csc(C)n2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C31H31N7O.C30H28ClN5O2S.C30H31N7OS.C30H36N6OS.C29H26ClN5O2S.C27H27N7OS2/c1-3-38-29-23(20-28(30(38)39)27-7-5-4-6-26(27)22-12-14-32-15-13-22)21-33-31(35-29)34-24-8-10-25(11-9-24)37-18-16-36(2)17-19-37;1-3-36-28-21(15-24(29(36)37)23-11-8-20(16-25(23)31)27-5-4-14-39-27)17-32-30(34-28)33-22-9-6-19(7-10-22)26-18-35(2)12-13-38-26;1-4-37-28-21(17-26(29(37)38)24-7-5-6-8-25(24)27-19-39-20(2)32-27)18-31-30(34-28)33-22-9-11-23(12-10-22)36-15-13-35(3)14-16-36;1-3-36-28-22(19-25(29(36)37)27-14-13-26(38-27)21-7-5-4-6-8-21)20-31-30(33-28)32-23-9-11-24(12-10-23)35-17-15-34(2)16-18-35;1-2-35-27-20(14-23(28(35)36)22-10-7-19(15-24(22)30)26-4-3-13-38-26)16-32-29(34-27)33-21-8-5-18(6-9-21)25-17-31-11-12-37-25;1-3-34-24-18(16-21(26(34)35)22-8-9-23(37-22)25-28-10-15-36-25)17-29-27(31-24)30-19-4-6-20(7-5-19)33-13-11-32(2)12-14-33/h4-15,20-21H,3,16-19H2,1-2H3,(H,33,34,35);4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,32,33,34);5-12,17-19H,4,13-16H2,1-3H3,(H,31,33,34);9-14,19-21H,3-8,15-18H2,1-2H3,(H,31,32,33);3-10,13-16,25,31H,2,11-12,17H2,1H3,(H,32,33,34);4-10,15-17H,3,11-14H2,1-2H3,(H,29,30,31)
InChIKeyVOVIYKDMFWJPDM-UHFFFAOYSA-N
XLogP34.56
TPSA457.18 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds36
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003215.94
LogP ≤ 534.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-chloro-4-cyclohexylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934036
6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474054
6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160969960
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 86721955
6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934563
6-[2-chloro-4-(1H-indol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934529
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249747
6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934044
6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71251088
3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one
CID 70934137
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934138
6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54755306

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one (CID 161358305) is 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nccs3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2csc(C)n2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VOVIYKDMFWJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O.C30H28ClN5O2S.C30H31N7OS.C30H36N6OS.C29H26ClN5O2S.C27H27N7OS2/c1-3-38-29-23(20-28(30(38)39)27-7-5-4-6-26(27)22-12-14-32-15-13-22)21-33-31(35-29)34-24-8-10-25(11-9-24)37-18-16-36(2)17-19-37;1-3-36-28-21(15-24(29(36)37)23-11-8-20(16-25(23)31)27-5-4-14-39-27)17-32-30(34-28)33-22-9-6-19(7-10-22)26-18-35(2)12-13-38-26;1-4-37-28-21(17-26(29(37)38)24-7-5-6-8-25(24)27-19-39-20(2)32-27)18-31-30(34-28)33-22-9-11-23(12-10-22)36-15-13-35(3)14-16-36;1-3-36-28-22(19-25(29(36)37)27-14-13-26(38-27)21-7-5-4-6-8-21)20-31-30(33-28)32-23-9-11-24(12-10-23)35-17-15-34(2)16-18-35;1-2-35-27-20(14-23(28(35)36)22-10-7-19(15-24(22)30)26-4-3-13-38-26)16-32-29(34-27)33-21-8-5-18(6-9-21)25-17-31-11-12-37-25;1-3-34-24-18(16-21(26(34)35)22-8-9-23(37-22)25-28-10-15-36-25)17-29-27(31-24)30-19-4-6-20(7-5-19)33-13-11-32(2)12-14-33/h4-15,20-21H,3,16-19H2,1-2H3,(H,33,34,35);4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,32,33,34);5-12,17-19H,4,13-16H2,1-3H3,(H,31,33,34);9-14,19-21H,3-8,15-18H2,1-2H3,(H,31,32,33);3-10,13-16,25,31H,2,11-12,17H2,1H3,(H,32,33,34);4-10,15-17H,3,11-14H2,1-2H3,(H,29,30,31).
What are the key properties of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3215.94 g/mol, XLogP of 34.56, 36 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-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-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161358305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).