6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C120H144F3N25O13S7 — CID 159461529

About 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 159461529) has the molecular formula C120H144F3N25O13S7 and a molecular weight of 2426.10 g/mol. Its IUPAC name is 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 159461529
• Molecular Formula: C120H144F3N25O13S7
• Molecular Weight: 2426.10 g/mol
• Exact Mass: 2423.94
• IUPAC Name: 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: C=S(=O)(CCOC)c1ccc(C)c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(C(C)C)c2=O)c1.C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC)c2=O)s1)C(C)C.C=S(C)(=O)n1cnc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c1C.CS(=O)(=O)N1CCC(n2c(=O)c(-c3cc(S(=O)C4CC4)cs3)cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc32)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C33H41N5O3S.C31H31F3N8O2S.C30H34N6O5S3.C26H30N6O3S2.4H2/c1-22(2)38-31-26(18-30(32(38)39)29-19-28(14-9-23(29)3)42(6,40)17-16-41-5)20-34-33(36-31)35-27-12-10-24(11-13-27)25-8-7-15-37(4)21-25;1-19-27(37-18-42(19)45(2,3)44)25-14-21-15-36-30(39-23-10-8-22(9-11-23)38-24-12-13-35-16-24)40-28(21)41(29(25)43)17-20-6-4-5-7-26(20)31(32,33)34;1-44(39,40)35-12-9-21(10-13-35)36-28-19(14-26(29(36)37)27-15-25(18-42-27)43(38)24-6-7-24)16-32-30(34-28)33-20-2-4-22(5-3-20)41-23-8-11-31-17-23;1-5-32-23-18(12-20(25(32)33)24-28-15-22(36-24)37(4,34)16(2)3)13-29-26(31-23)30-19-8-6-17(7-9-19)21-14-27-10-11-35-21;;;;/h9-14,18-20,22,25H,6-8,15-17,21H2,1-5H3,(H,34,35,36);4-11,14-15,18,24,35,38H,2,12-13,16-17H2,1,3H3,(H,36,39,40);2-5,14-16,18,21,23-24,31H,6-13,17H2,1H3,(H,32,33,34);6-9,12-13,15-16,21,27H,4-5,10-11,14H2,1-3H3,(H,29,30,31);4*1H
• InChIKey: LUQPBFMTGMDNDX-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 454.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2426.10
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 159461529) is 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is C=S(=O)(CCOC)c1ccc(C)c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(C(C)C)c2=O)c1.C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC)c2=O)s1)C(C)C.C=S(C)(=O)n1cnc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c1C.CS(=O)(=O)N1CCC(n2c(=O)c(-c3cc(S(=O)C4CC4)cs3)cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc32)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is LUQPBFMTGMDNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O3S.C31H31F3N8O2S.C30H34N6O5S3.C26H30N6O3S2.4H2/c1-22(2)38-31-26(18-30(32(38)39)29-19-28(14-9-23(29)3)42(6,40)17-16-41-5)20-34-33(36-31)35-27-12-10-24(11-13-27)25-8-7-15-37(4)21-25;1-19-27(37-18-42(19)45(2,3)44)25-14-21-15-36-30(39-23-10-8-22(9-11-23)38-24-12-13-35-16-24)40-28(21)41(29(25)43)17-20-6-4-5-7-26(20)31(32,33)34;1-44(39,40)35-12-9-21(10-13-35)36-28-19(14-26(29(36)37)27-15-25(18-42-27)43(38)24-6-7-24)16-32-30(34-28)33-20-2-4-22(5-3-20)41-23-8-11-31-17-23;1-5-32-23-18(12-20(25(32)33)24-28-15-22(36-24)37(4,34)16(2)3)13-29-26(31-23)30-19-8-6-17(7-9-19)21-14-27-10-11-35-21;;;;/h9-14,18-20,22,25H,6-8,15-17,21H2,1-5H3,(H,34,35,36);4-11,14-15,18,24,35,38H,2,12-13,16-17H2,1,3H3,(H,36,39,40);2-5,14-16,18,21,23-24,31H,6-13,17H2,1H3,(H,32,33,34);6-9,12-13,15-16,21,27H,4-5,10-11,14H2,1-3H3,(H,29,30,31);4*1H.

What are the key properties of 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2426.10 g/mol, XLogP of 18.96, 33 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropylsulfinylthiophen-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-λ6-sulfanyl)-2-methylphenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)imidazol-4-yl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 159461529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).