6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C156H175BrFN43O6S2 — CID 159802724

About 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159802724) has the molecular formula C156H175BrFN43O6S2 and a molecular weight of 2911.45 g/mol. Its IUPAC name is 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159802724
• Molecular Formula: C156H175BrFN43O6S2
• Molecular Weight: 2911.45 g/mol
• Exact Mass: 2908.33
• IUPAC Name: 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnncc2-c2nccs2)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ncccc2-c2ccncc2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2cncnc2C2CCOCC2)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(Cc5ccn(C)c5C5=CCCC5)c4n3)cc2)CC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5nccnc5C5CC5)c4n3)cc2)C1
• InChI: InChI=1S/C34H39N9O.C33H43N9O2.C33H35N7OS.C29H29FN10OS.C27H29BrN8O/c1-40-16-13-28(14-17-40)37-26-8-10-27(11-9-26)38-34-36-21-25-20-29(32-35-15-19-42(32)3)33(44)43(31(25)39-34)22-24-12-18-41(2)30(24)23-6-4-5-7-23;1-4-41(5-2)29-18-24-20-36-33(38-26-6-8-27(9-7-26)40(3)28-10-14-34-15-11-28)39-31(24)42(32(29)43)21-25-19-35-22-37-30(25)23-12-16-44-17-13-23;1-3-22(4-2)28-18-25-19-37-33(38-26-9-7-24(8-10-26)30-20-35-16-17-42-30)39-31(25)40(32(28)41)21-29-27(6-5-13-36-29)23-11-14-34-15-12-23;1-18(38(2)3)22-12-19-14-33-29(36-21-4-5-25(24(30)13-21)39-9-6-31-7-10-39)37-26(19)40(28(22)41)17-20-15-34-35-16-23(20)27-32-8-11-42-27;1-35-12-2-3-21(15-35)32-19-6-8-20(9-7-19)33-27-31-14-18-13-22(28)26(37)36(25(18)34-27)16-23-24(17-4-5-17)30-11-10-29-23/h6,8-12,15,18-21,28,37H,4-5,7,13-14,16-17,22H2,1-3H3,(H,36,38,39);6-9,18-20,22-23,28,34H,4-5,10-17,21H2,1-3H3,(H,36,38,39);5-15,18-19,22,30,35H,3-4,16-17,20-21H2,1-2H3,(H,37,38,39);4-5,8,11-16,31H,1,6-7,9-10,17H2,2-3H3,(H,33,36,37);6-11,13-14,17,21,32H,2-5,12,15-16H2,1H3,(H,31,33,34)
• InChIKey: NJZOXTUNPIMSRJ-UHFFFAOYSA-N
• XLogP: 24.12
• TPSA: 526.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 51
• Rotatable Bonds: 42
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2911.45
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159802724) is 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnncc2-c2nccs2)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ncccc2-c2ccncc2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2cncnc2C2CCOCC2)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(Cc5ccn(C)c5C5=CCCC5)c4n3)cc2)CC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5nccnc5C5CC5)c4n3)cc2)C1.

What is the InChIKey of 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NJZOXTUNPIMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N9O.C33H43N9O2.C33H35N7OS.C29H29FN10OS.C27H29BrN8O/c1-40-16-13-28(14-17-40)37-26-8-10-27(11-9-26)38-34-36-21-25-20-29(32-35-15-19-42(32)3)33(44)43(31(25)39-34)22-24-12-18-41(2)30(24)23-6-4-5-7-23;1-4-41(5-2)29-18-24-20-36-33(38-26-6-8-27(9-7-26)40(3)28-10-14-34-15-11-28)39-31(24)42(32(29)43)21-25-19-35-22-37-30(25)23-12-16-44-17-13-23;1-3-22(4-2)28-18-25-19-37-33(38-26-9-7-24(8-10-26)30-20-35-16-17-42-30)39-31(25)40(32(28)41)21-29-27(6-5-13-36-29)23-11-14-34-15-12-23;1-18(38(2)3)22-12-19-14-33-29(36-21-4-5-25(24(30)13-21)39-9-6-31-7-10-39)37-26(19)40(28(22)41)17-20-15-34-35-16-23(20)27-32-8-11-42-27;1-35-12-2-3-21(15-35)32-19-6-8-20(9-7-19)33-27-31-14-18-13-22(28)26(37)36(25(18)34-27)16-23-24(17-4-5-17)30-11-10-29-23/h6,8-12,15,18-21,28,37H,4-5,7,13-14,16-17,22H2,1-3H3,(H,36,38,39);6-9,18-20,22-23,28,34H,4-5,10-17,21H2,1-3H3,(H,36,38,39);5-15,18-19,22,30,35H,3-4,16-17,20-21H2,1-2H3,(H,37,38,39);4-5,8,11-16,31H,1,6-7,9-10,17H2,2-3H3,(H,33,36,37);6-11,13-14,17,21,32H,2-5,12,15-16H2,1H3,(H,31,33,34).

What are the key properties of 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2911.45 g/mol, XLogP of 24.12, 42 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-[(3-cyclopropylpyrazin-2-yl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)-1-methylpyrrol-3-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(oxan-4-yl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-yl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159802724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).