6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C118H132BrN31O7S4 — CID 161069925

About 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161069925) has the molecular formula C118H132BrN31O7S4 and a molecular weight of 2304.74 g/mol. Its IUPAC name is 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161069925
• Molecular Formula: C118H132BrN31O7S4
• Molecular Weight: 2304.74 g/mol
• Exact Mass: 2301.90
• IUPAC Name: 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2nnn(C)c2-c2nccs2)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2sccc2C2CCOCC2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5ccsc5C5CC5)c4n3)cc2)C1.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ncsc2C2=CCCC2)c1=O
• InChI: InChI=1S/C32H41N7O2S.C31H32N8O2S.C29H33N11OS.C26H26BrN5O2S/c1-4-38(5-2)28-18-23-19-33-32(35-25-8-6-24(7-9-25)34-26-10-14-37(3)20-26)36-30(23)39(31(28)40)21-29-27(13-17-42-29)22-11-15-41-16-12-22;1-38-14-13-33-29(38)25-15-21-16-34-31(36-22-8-10-23(11-9-22)41-24-7-4-12-32-17-24)37-28(21)39(30(25)40)18-26-27(42-19-35-26)20-5-2-3-6-20;1-18(38(2)3)23-15-19-16-32-29(34-21-7-5-20(6-8-21)33-22-9-11-30-12-10-22)35-26(19)40(28(23)41)17-24-25(39(4)37-36-24)27-31-13-14-42-27;1-31-9-10-34-22(15-31)16-4-6-20(7-5-16)29-26-28-13-19-12-21(27)25(33)32(24(19)30-26)14-18-8-11-35-23(18)17-2-3-17/h6-9,13,17-19,22,26,34H,4-5,10-12,14-16,20-21H2,1-3H3,(H,33,35,36);5,8-11,13-16,19,24,32H,2-4,6-7,12,17-18H2,1H3,(H,34,36,37);5-8,13-16,22,30,33H,1,9-12,17H2,2-4H3,(H,32,34,35);4-8,11-13,17,22H,2-3,9-10,14-15H2,1H3,(H,28,29,30)
• InChIKey: UENGAYUKYZJZAK-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 402.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2304.74
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161069925) is 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2nnn(C)c2-c2nccs2)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2sccc2C2CCOCC2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5ccsc5C5CC5)c4n3)cc2)C1.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ncsc2C2=CCCC2)c1=O.

What is the InChIKey of 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UENGAYUKYZJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O2S.C31H32N8O2S.C29H33N11OS.C26H26BrN5O2S/c1-4-38(5-2)28-18-23-19-33-32(35-25-8-6-24(7-9-25)34-26-10-14-37(3)20-26)36-30(23)39(31(28)40)21-29-27(13-17-42-29)22-11-15-41-16-12-22;1-38-14-13-33-29(38)25-15-21-16-34-31(36-22-8-10-23(11-9-22)41-24-7-4-12-32-17-24)37-28(21)39(30(25)40)18-26-27(42-19-35-26)20-5-2-3-6-20;1-18(38(2)3)23-15-19-16-32-29(34-21-7-5-20(6-8-21)33-22-9-11-30-12-10-22)35-26(19)40(28(23)41)17-24-25(39(4)37-36-24)27-31-13-14-42-27;1-31-9-10-34-22(15-31)16-4-6-20(7-5-16)29-26-28-13-19-12-21(27)25(33)32(24(19)30-26)14-18-8-11-35-23(18)17-2-3-17/h6-9,13,17-19,22,26,34H,4-5,10-12,14-16,20-21H2,1-3H3,(H,33,35,36);5,8-11,13-16,19,24,32H,2-4,6-7,12,17-18H2,1H3,(H,34,36,37);5-8,13-16,22,30,33H,1,9-12,17H2,2-4H3,(H,32,34,35);4-8,11-13,17,22H,2-3,9-10,14-15H2,1H3,(H,28,29,30).

What are the key properties of 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2304.74 g/mol, XLogP of 19.46, 33 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161069925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).