8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C121H130F3N27O15S8 — CID 159472745

About 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159472745) has the molecular formula C121H130F3N27O15S8 and a molecular weight of 2516.07 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159472745
• Molecular Formula: C121H130F3N27O15S8
• Molecular Weight: 2516.07 g/mol
• Exact Mass: 2513.80
• IUPAC Name: 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(C)(=O)c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(-c3nccs3)c2=O)s1.CN(C)CCn1c(=O)c(-c2nc(S(=O)(=O)c3cccs3)cn2C)cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc21.CN1CCC(S(=O)(=O)c2csc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)c2)CC1.Cc1c(-c2cc3cnc(Cc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3ccccc3)c2=O)ncn1S(=O)(=O)C1CCOCC1
• InChI: InChI=1S/C34H36N6O5S.C31H36N8O3S2.C30H33F3N6O4S2.C26H25N7O3S3/c1-23-32(36-22-39(23)46(42,43)28-12-15-44-16-13-28)29-19-26-20-35-31(37-33(26)40(34(29)41)27-6-4-3-5-7-27)18-24-8-10-25(11-9-24)30-21-38(2)14-17-45-30;1-36(2)13-14-39-28-23(17-25(30(39)40)29-34-26(20-38(29)4)44(41,42)27-6-5-15-43-27)18-32-31(35-28)33-24-9-7-21(8-10-24)16-22-11-12-37(3)19-22;1-38-11-8-23(9-12-38)45(41,42)24-14-26(44-17-24)25-13-19-15-35-29(37-27(19)39(28(25)40)18-30(31,32)33)36-20-4-6-21(7-5-20)43-22-3-2-10-34-16-22;1-39(2,35)21-15-29-23(38-21)20-13-16-14-30-25(32-22(16)33(24(20)34)26-28-11-12-37-26)31-17-3-5-18(6-4-17)36-19-7-9-27-10-8-19/h3-11,19-20,22,28,30H,12-18,21H2,1-2H3;5-10,15,17-18,20,22H,11-14,16,19H2,1-4H3,(H,32,33,35);4-7,13-15,17,22-23,34H,2-3,8-12,16,18H2,1H3,(H,35,36,37);3-6,11-15,19,27H,1,7-10H2,2H3,(H,30,31,32)
• InChIKey: LVZUHBQBTYUOCH-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 482.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 46
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2516.07
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159472745) is 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is C=S(C)(=O)c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(-c3nccs3)c2=O)s1.CN(C)CCn1c(=O)c(-c2nc(S(=O)(=O)c3cccs3)cn2C)cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc21.CN1CCC(S(=O)(=O)c2csc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)c2)CC1.Cc1c(-c2cc3cnc(Cc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3ccccc3)c2=O)ncn1S(=O)(=O)C1CCOCC1.

What is the InChIKey of 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LVZUHBQBTYUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O5S.C31H36N8O3S2.C30H33F3N6O4S2.C26H25N7O3S3/c1-23-32(36-22-39(23)46(42,43)28-12-15-44-16-13-28)29-19-26-20-35-31(37-33(26)40(34(29)41)27-6-4-3-5-7-27)18-24-8-10-25(11-9-24)30-21-38(2)14-17-45-30;1-36(2)13-14-39-28-23(17-25(30(39)40)29-34-26(20-38(29)4)44(41,42)27-6-5-15-43-27)18-32-31(35-28)33-24-9-7-21(8-10-24)16-22-11-12-37(3)19-22;1-38-11-8-23(9-12-38)45(41,42)24-14-26(44-17-24)25-13-19-15-35-29(37-27(19)39(28(25)40)18-30(31,32)33)36-20-4-6-21(7-5-20)43-22-3-2-10-34-16-22;1-39(2,35)21-15-29-23(38-21)20-13-16-14-30-25(32-22(16)33(24(20)34)26-28-11-12-37-26)31-17-3-5-18(6-4-17)36-19-7-9-27-10-8-19/h3-11,19-20,22,28,30H,12-18,21H2,1-2H3;5-10,15,17-18,20,22H,11-14,16,19H2,1-4H3,(H,32,33,35);4-7,13-15,17,22-23,34H,2-3,8-12,16,18H2,1H3,(H,35,36,37);3-6,11-15,19,27H,1,7-10H2,2H3,(H,30,31,32).

What are the key properties of 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2516.07 g/mol, XLogP of 16.55, 32 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[[4-(4-methylmorpholin-2-yl)phenyl]methyl]-6-[5-methyl-1-(oxan-4-ylsulfonyl)imidazol-4-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159472745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).