8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C128H133F3N24O14S6 — CID 162190102

About 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162190102) has the molecular formula C128H133F3N24O14S6 and a molecular weight of 2481.02 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162190102
• Molecular Formula: C128H133F3N24O14S6
• Molecular Weight: 2481.02 g/mol
• Exact Mass: 2478.87
• IUPAC Name: 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(C)(=O)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(-c3nccs3)c2=O)nc1.C=S(c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)cc1)C1CCN(C)CC1.CN(C)CCn1c(=O)c(-c2cccc(S(=O)(=O)c3cccs3)c2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.O=c1c(-c2ccccc2S(=O)(=O)C2CCOCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1-c1ccccc1
• InChI: InChI=1S/C35H35N5O5S.C33H37F3N6O2S.C32H34N6O4S2.C28H27N7O3S2/c41-34-31(30-10-4-5-11-32(30)46(42,43)29-16-19-44-20-17-29)21-24-22-37-35(39-33(24)40(34)26-7-2-1-3-8-26)38-25-12-14-27(15-13-25)45-28-9-6-18-36-23-28;1-41-17-13-28(14-18-41)45(2)27-9-3-22(4-10-27)29-19-23-20-38-32(40-30(23)42(31(29)43)21-33(34,35)36)39-24-5-7-25(8-6-24)44-26-11-15-37-16-12-26;1-36(2)13-14-38-30-24(19-27(31(38)39)23-6-4-7-26(18-23)44(40,41)29-8-5-17-43-29)20-33-32(35-30)34-25-11-9-22(10-12-25)28-21-37(3)15-16-42-28;1-34-12-10-21(17-34)38-20-6-4-19(5-7-20)32-27-31-15-18-14-23(24-9-8-22(16-30-24)40(2,3)37)26(36)35(25(18)33-27)28-29-11-13-39-28/h1-5,7-8,10-15,21-22,28-29,36H,6,9,16-20,23H2,(H,37,38,39);3-10,19-20,26,28,37H,2,11-18,21H2,1H3,(H,38,39,40);4-12,17-20,28H,13-16,21H2,1-3H3,(H,33,34,35);4-9,11,13-16,21H,2,10,12,17H2,1,3H3,(H,31,32,33)
• InChIKey: ZQEKASOZKVUJLI-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 433.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2481.02
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

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-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 162190102) is 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is C=S(C)(=O)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(-c3nccs3)c2=O)nc1.C=S(c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)cc1)C1CCN(C)CC1.CN(C)CCn1c(=O)c(-c2cccc(S(=O)(=O)c3cccs3)c2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.O=c1c(-c2ccccc2S(=O)(=O)C2CCOCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1-c1ccccc1.

What is the InChIKey of 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ZQEKASOZKVUJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N5O5S.C33H37F3N6O2S.C32H34N6O4S2.C28H27N7O3S2/c41-34-31(30-10-4-5-11-32(30)46(42,43)29-16-19-44-20-17-29)21-24-22-37-35(39-33(24)40(34)26-7-2-1-3-8-26)38-25-12-14-27(15-13-25)45-28-9-6-18-36-23-28;1-41-17-13-28(14-18-41)45(2)27-9-3-22(4-10-27)29-19-23-20-38-32(40-30(23)42(31(29)43)21-33(34,35)36)39-24-5-7-25(8-6-24)44-26-11-15-37-16-12-26;1-36(2)13-14-38-30-24(19-27(31(38)39)23-6-4-7-26(18-23)44(40,41)29-8-5-17-43-29)20-33-32(35-30)34-25-11-9-22(10-12-25)28-21-37(3)15-16-42-28;1-34-12-10-21(17-34)38-20-6-4-19(5-7-20)32-27-31-15-18-14-23(24-9-8-22(16-30-24)40(2,3)37)26(36)35(25(18)33-27)28-29-11-13-39-28/h1-5,7-8,10-15,21-22,28-29,36H,6,9,16-20,23H2,(H,37,38,39);3-10,19-20,26,28,37H,2,11-18,21H2,1H3,(H,38,39,40);4-12,17-20,28H,13-16,21H2,1-3H3,(H,33,34,35);4-9,11,13-16,21H,2,10,12,17H2,1,3H3,(H,31,32,33).

What are the key properties of 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2481.02 g/mol, XLogP of 19.82, 32 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]phenyl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162190102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).