2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C160H169F3N42O10S5 — CID 161355977

IUPAC2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(Cc4nccs4)c3n2)cc1)C1CCCNC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6nncn6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5nc(C6=CCN=C6)cn5C)c(=O)n(CC5CCOCC5)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)ncn1-c1cccs1.Cc1cc(-c2cscn2)ccc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C34H37N7O2S2.C33H36N8O3S.C33H38N8O3.C30H30F3N9O.C30H28N10OS2/c1-23-17-25(30-21-44-22-36-30)5-8-28(23)29-18-26-19-35-34(37-27-6-3-24(4-7-27)31-20-39(2)13-16-45-31)38-32(26)41(33(29)42)10-9-40-11-14-43-15-12-40;1-22-30(35-21-41(22)29-6-5-17-45-29)27-18-23-19-34-33(37-31(23)40(32(27)43)20-28(42)39-13-3-4-14-39)36-24-7-9-25(10-8-24)44-26-11-15-38(2)16-12-26;1-39-13-3-4-27(20-39)44-26-7-5-25(6-8-26)36-33-35-18-24-16-28(31-37-29(21-40(31)2)23-9-12-34-17-23)32(42)41(30(24)38-33)19-22-10-14-43-15-11-22;1-40-13-3-4-24(16-40)36-22-9-11-23(12-10-22)37-29-34-15-21-14-25(28(43)42(26(21)38-29)17-30(31,32)33)19-5-7-20(8-6-19)27-39-35-18-41(27)2;1-39(23-3-2-8-31-17-23)22-6-4-21(5-7-22)37-30-36-14-19-13-24(20-15-34-26(35-16-20)28-33-10-12-43-28)29(41)40(27(19)38-30)18-25-32-9-11-42-25/h3-8,17-19,21-22,31H,9-16,20H2,1-2H3,(H,35,37,38);5-10,17-19,21,26H,3-4,11-16,20H2,1-2H3,(H,34,36,37);5-9,16-18,21-22,27H,3-4,10-15,19-20H2,1-2H3,(H,35,36,38);5-12,14-15,18,24,36H,3-4,13,16-17H2,1-2H3,(H,34,37,38);4-7,9-16,23,31H,2-3,8,17-18H2,1H3,(H,36,37,38)
InChIKeyVONYEEAVGYKKJS-UHFFFAOYSA-N
MW3057.72 g/mol
LogP24.72
Rot. Bonds39

About 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161355977) has the molecular formula C160H169F3N42O10S5 and a molecular weight of 3057.72 g/mol. Its IUPAC name is 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID161355977
Molecular FormulaC160H169F3N42O10S5
Molecular Weight3057.72 g/mol
Exact Mass3055.26
IUPAC Name2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(Cc4nccs4)c3n2)cc1)C1CCCNC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6nncn6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5nc(C6=CCN=C6)cn5C)c(=O)n(CC5CCOCC5)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)ncn1-c1cccs1.Cc1cc(-c2cscn2)ccc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C34H37N7O2S2.C33H36N8O3S.C33H38N8O3.C30H30F3N9O.C30H28N10OS2/c1-23-17-25(30-21-44-22-36-30)5-8-28(23)29-18-26-19-35-34(37-27-6-3-24(4-7-27)31-20-39(2)13-16-45-31)38-32(26)41(33(29)42)10-9-40-11-14-43-15-12-40;1-22-30(35-21-41(22)29-6-5-17-45-29)27-18-23-19-34-33(37-31(23)40(32(27)43)20-28(42)39-13-3-4-14-39)36-24-7-9-25(10-8-24)44-26-11-15-38(2)16-12-26;1-39-13-3-4-27(20-39)44-26-7-5-25(6-8-26)36-33-35-18-24-16-28(31-37-29(21-40(31)2)23-9-12-34-17-23)32(42)41(30(24)38-33)19-22-10-14-43-15-11-22;1-40-13-3-4-24(16-40)36-22-9-11-23(12-10-22)37-29-34-15-21-14-25(28(43)42(26(21)38-29)17-30(31,32)33)19-5-7-20(8-6-19)27-39-35-18-41(27)2;1-39(23-3-2-8-31-17-23)22-6-4-21(5-7-22)37-30-36-14-19-13-24(20-15-34-26(35-16-20)28-33-10-12-43-28)29(41)40(27(19)38-30)18-25-32-9-11-42-25/h3-8,17-19,21-22,31H,9-16,20H2,1-2H3,(H,35,37,38);5-10,17-19,21,26H,3-4,11-16,20H2,1-2H3,(H,34,36,37);5-9,16-18,21-22,27H,3-4,10-15,19-20H2,1-2H3,(H,35,36,38);5-12,14-15,18,24,36H,3-4,13,16-17H2,1-2H3,(H,34,37,38);4-7,9-16,23,31H,2-3,8,17-18H2,1H3,(H,36,37,38)
InChIKeyVONYEEAVGYKKJS-UHFFFAOYSA-N
XLogP24.72
TPSA542.94 Ų
H-Bond Donors7
H-Bond Acceptors56
Rotatable Bonds39
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003057.72
LogP ≤ 524.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1056

Analyze 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 161355977) is 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CN(c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(Cc4nccs4)c3n2)cc1)C1CCCNC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6nncn6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5nc(C6=CCN=C6)cn5C)c(=O)n(CC5CCOCC5)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)ncn1-c1cccs1.Cc1cc(-c2cscn2)ccc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VONYEEAVGYKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O2S2.C33H36N8O3S.C33H38N8O3.C30H30F3N9O.C30H28N10OS2/c1-23-17-25(30-21-44-22-36-30)5-8-28(23)29-18-26-19-35-34(37-27-6-3-24(4-7-27)31-20-39(2)13-16-45-31)38-32(26)41(33(29)42)10-9-40-11-14-43-15-12-40;1-22-30(35-21-41(22)29-6-5-17-45-29)27-18-23-19-34-33(37-31(23)40(32(27)43)20-28(42)39-13-3-4-14-39)36-24-7-9-25(10-8-24)44-26-11-15-38(2)16-12-26;1-39-13-3-4-27(20-39)44-26-7-5-25(6-8-26)36-33-35-18-24-16-28(31-37-29(21-40(31)2)23-9-12-34-17-23)32(42)41(30(24)38-33)19-22-10-14-43-15-11-22;1-40-13-3-4-24(16-40)36-22-9-11-23(12-10-22)37-29-34-15-21-14-25(28(43)42(26(21)38-29)17-30(31,32)33)19-5-7-20(8-6-19)27-39-35-18-41(27)2;1-39(23-3-2-8-31-17-23)22-6-4-21(5-7-22)37-30-36-14-19-13-24(20-15-34-26(35-16-20)28-33-10-12-43-28)29(41)40(27(19)38-30)18-25-32-9-11-42-25/h3-8,17-19,21-22,31H,9-16,20H2,1-2H3,(H,35,37,38);5-10,17-19,21,26H,3-4,11-16,20H2,1-2H3,(H,34,36,37);5-9,16-18,21-22,27H,3-4,10-15,19-20H2,1-2H3,(H,35,36,38);5-12,14-15,18,24,36H,3-4,13,16-17H2,1-2H3,(H,34,37,38);4-7,9-16,23,31H,2-3,8,17-18H2,1H3,(H,36,37,38).
What are the key properties of 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3057.72 g/mol, XLogP of 24.72, 39 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161355977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).