8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one

C162H169F5N46O6S — CID 162040098

IUPAC8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5F)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.Cc1cnc(-c2cccn2C)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CCN(C)C)c1=O.Cc1nc(-c2ccncc2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2CCOC2)c1=O.Cc1nc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nn(-c2nccn2C)c(C)c1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(-c2nccs2)c1=O
InChIInChI=1S/C34H34N10O.C33H40N10O.C32H31F4N7O.C32H31FN8O2.C31H33N11OS/c1-22-29(20-35-31(38-22)30-15-16-37-43(30)3)28-18-23-19-36-34(41-32(23)44(33(28)45)27-9-5-4-6-10-27)40-25-13-11-24(12-14-25)39-26-8-7-17-42(2)21-26;1-22-20-35-30(28-7-6-16-41(28)4)38-29(22)27-19-23-21-36-33(39-31(23)43(32(27)44)18-17-40(2)3)37-24-8-10-25(11-9-24)42(5)26-12-14-34-15-13-26;1-41-14-11-24(12-15-41)38-22-6-8-23(9-7-22)39-31-37-18-21-16-26(30(44)43(29(21)40-31)19-32(34,35)36)25-10-5-20(17-27(25)33)28-4-3-13-42(28)2;1-20-25(3-4-28(37-20)21-6-9-34-10-7-21)26-16-22-18-36-32(39-30(22)41(31(26)42)24-8-15-43-19-24)38-23-2-5-29(27(33)17-23)40-13-11-35-12-14-40;1-19-26(20(2)42(38-19)30-33-12-14-39(30)3)25-16-21-17-35-29(37-27(21)41(28(25)43)31-34-13-15-44-31)36-22-7-9-23(10-8-22)40(4)24-6-5-11-32-18-24/h4-6,9-16,18-20,26,39H,7-8,17,21H2,1-3H3,(H,36,40,41);6-11,16,19-21,26,34H,12-15,17-18H2,1-5H3,(H,36,37,39);3-10,13,16-18,24,38H,11-12,14-15,19H2,1-2H3,(H,37,39,40);2-7,9-10,16-18,24,35H,8,11-15,19H2,1H3,(H,36,38,39);7-10,12-17,24,32H,5-6,11,18H2,1-4H3,(H,35,36,37)
InChIKeyYXDVGTNMDUMOCC-UHFFFAOYSA-N
MW2983.51 g/mol
LogP24.52
Rot. Bonds36

About 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one

8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 162040098) has the molecular formula C162H169F5N46O6S and a molecular weight of 2983.51 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
PubChem CID162040098
Molecular FormulaC162H169F5N46O6S
Molecular Weight2983.51 g/mol
Exact Mass2981.40
IUPAC Name8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5F)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.Cc1cnc(-c2cccn2C)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CCN(C)C)c1=O.Cc1nc(-c2ccncc2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2CCOC2)c1=O.Cc1nc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nn(-c2nccn2C)c(C)c1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(-c2nccs2)c1=O
InChIInChI=1S/C34H34N10O.C33H40N10O.C32H31F4N7O.C32H31FN8O2.C31H33N11OS/c1-22-29(20-35-31(38-22)30-15-16-37-43(30)3)28-18-23-19-36-34(41-32(23)44(33(28)45)27-9-5-4-6-10-27)40-25-13-11-24(12-14-25)39-26-8-7-17-42(2)21-26;1-22-20-35-30(28-7-6-16-41(28)4)38-29(22)27-19-23-21-36-33(39-31(23)43(32(27)44)18-17-40(2)3)37-24-8-10-25(11-9-24)42(5)26-12-14-34-15-13-26;1-41-14-11-24(12-15-41)38-22-6-8-23(9-7-22)39-31-37-18-21-16-26(30(44)43(29(21)40-31)19-32(34,35)36)25-10-5-20(17-27(25)33)28-4-3-13-42(28)2;1-20-25(3-4-28(37-20)21-6-9-34-10-7-21)26-16-22-18-36-32(39-30(22)41(31(26)42)24-8-15-43-19-24)38-23-2-5-29(27(33)17-23)40-13-11-35-12-14-40;1-19-26(20(2)42(38-19)30-33-12-14-39(30)3)25-16-21-17-35-29(37-27(21)41(28(25)43)31-34-13-15-44-31)36-22-7-9-23(10-8-22)40(4)24-6-5-11-32-18-24/h4-6,9-16,18-20,26,39H,7-8,17,21H2,1-3H3,(H,36,40,41);6-11,16,19-21,26,34H,12-15,17-18H2,1-5H3,(H,36,37,39);3-10,13,16-18,24,38H,11-12,14-15,19H2,1-2H3,(H,37,39,40);2-7,9-10,16-18,24,35H,8,11-15,19H2,1H3,(H,36,38,39);7-10,12-17,24,32H,5-6,11,18H2,1-4H3,(H,35,36,37)
InChIKeyYXDVGTNMDUMOCC-UHFFFAOYSA-N
XLogP24.52
TPSA541.42 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds36
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002983.51
LogP ≤ 524.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one (CID 162040098) is 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5F)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.Cc1cnc(-c2cccn2C)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CCN(C)C)c1=O.Cc1nc(-c2ccncc2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2CCOC2)c1=O.Cc1nc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nn(-c2nccn2C)c(C)c1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(-c2nccs2)c1=O.
What is the InChIKey of 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YXDVGTNMDUMOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N10O.C33H40N10O.C32H31F4N7O.C32H31FN8O2.C31H33N11OS/c1-22-29(20-35-31(38-22)30-15-16-37-43(30)3)28-18-23-19-36-34(41-32(23)44(33(28)45)27-9-5-4-6-10-27)40-25-13-11-24(12-14-25)39-26-8-7-17-42(2)21-26;1-22-20-35-30(28-7-6-16-41(28)4)38-29(22)27-19-23-21-36-33(39-31(23)43(32(27)44)18-17-40(2)3)37-24-8-10-25(11-9-24)42(5)26-12-14-34-15-13-26;1-41-14-11-24(12-15-41)38-22-6-8-23(9-7-22)39-31-37-18-21-16-26(30(44)43(29(21)40-31)19-32(34,35)36)25-10-5-20(17-27(25)33)28-4-3-13-42(28)2;1-20-25(3-4-28(37-20)21-6-9-34-10-7-21)26-16-22-18-36-32(39-30(22)41(31(26)42)24-8-15-43-19-24)38-23-2-5-29(27(33)17-23)40-13-11-35-12-14-40;1-19-26(20(2)42(38-19)30-33-12-14-39(30)3)25-16-21-17-35-29(37-27(21)41(28(25)43)31-34-13-15-44-31)36-22-7-9-23(10-8-22)40(4)24-6-5-11-32-18-24/h4-6,9-16,18-20,26,39H,7-8,17,21H2,1-3H3,(H,36,40,41);6-11,16,19-21,26,34H,12-15,17-18H2,1-5H3,(H,36,37,39);3-10,13,16-18,24,38H,11-12,14-15,19H2,1-2H3,(H,37,39,40);2-7,9-10,16-18,24,35H,8,11-15,19H2,1H3,(H,36,38,39);7-10,12-17,24,32H,5-6,11,18H2,1-4H3,(H,35,36,37).
What are the key properties of 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2983.51 g/mol, XLogP of 24.52, 36 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162040098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).