6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C132H136F3N27O11S8 — CID 157161668

About 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157161668) has the molecular formula C132H136F3N27O11S8 and a molecular weight of 2590.25 g/mol. Its IUPAC name is 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157161668
• Molecular Formula: C132H136F3N27O11S8
• Molecular Weight: 2590.25 g/mol
• Exact Mass: 2587.86
• IUPAC Name: 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(CC(F)(F)F)c1ccc(C)c(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(Cc3nccs3)c2=O)c1.C=S(=O)(c1ccncc1)c1cnc(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(-c3nccs3)c2=O)s1.C=S(c1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C)c1)C1CCOCC1.Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n(CC3CCOCC3)c2=O)cccc1S(=O)(=O)c1cccs1
• InChI: InChI=1S/C36H43N7O3S.C34H36N6O4S2.C32H31F3N6O2S2.C30H26N8O2S3/c1-24-19-30(47(2)29-12-17-46-18-13-29)9-10-31(24)32-20-25-21-38-36(40-27-7-5-26(6-8-27)39-28-11-14-37-22-28)41-34(25)43(35(32)45)23-33(44)42-15-3-4-16-42;1-23-28(4-2-5-30(23)46(42,43)31-6-3-19-45-31)29-20-25-21-36-34(37-26-7-9-27(10-8-26)39-15-13-35-14-16-39)38-32(25)40(33(29)41)22-24-11-17-44-18-12-24;1-20-5-10-25(45(2,43)19-32(33,34)35)15-26(20)27-14-23-17-38-31(40-29(23)41(30(27)42)18-28-37-12-13-44-28)39-24-8-6-21(7-9-24)22-4-3-11-36-16-22;1-37-13-9-20(18-37)19-3-5-22(6-4-19)35-29-34-16-21-15-24(28(39)38(26(21)36-29)30-32-12-14-41-30)27-33-17-25(42-27)43(2,40)23-7-10-31-11-8-23/h5-10,19-21,28-29,37,39H,2-4,11-18,22-23H2,1H3,(H,38,40,41);2-10,19-21,24,35H,11-18,22H2,1H3,(H,36,37,38);5-10,12-15,17,22,36H,2-4,11,16,18-19H2,1H3,(H,38,39,40);3-8,10-12,14-17,20H,2,9,13,18H2,1H3,(H,34,35,36)
• InChIKey: AMLKJSORNAOYKX-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 452.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2590.25
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157161668) is 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=S(=O)(CC(F)(F)F)c1ccc(C)c(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(Cc3nccs3)c2=O)c1.C=S(=O)(c1ccncc1)c1cnc(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(-c3nccs3)c2=O)s1.C=S(c1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C)c1)C1CCOCC1.Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n(CC3CCOCC3)c2=O)cccc1S(=O)(=O)c1cccs1.

What is the InChIKey of 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AMLKJSORNAOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N7O3S.C34H36N6O4S2.C32H31F3N6O2S2.C30H26N8O2S3/c1-24-19-30(47(2)29-12-17-46-18-13-29)9-10-31(24)32-20-25-21-38-36(40-27-7-5-26(6-8-27)39-28-11-14-37-22-28)41-34(25)43(35(32)45)23-33(44)42-15-3-4-16-42;1-23-28(4-2-5-30(23)46(42,43)31-6-3-19-45-31)29-20-25-21-36-34(37-26-7-9-27(10-8-26)39-15-13-35-14-16-39)38-32(25)40(33(29)41)22-24-11-17-44-18-12-24;1-20-5-10-25(45(2,43)19-32(33,34)35)15-26(20)27-14-23-17-38-31(40-29(23)41(30(27)42)18-28-37-12-13-44-28)39-24-8-6-21(7-9-24)22-4-3-11-36-16-22;1-37-13-9-20(18-37)19-3-5-22(6-4-19)35-29-34-16-21-15-24(28(39)38(26(21)36-29)30-32-12-14-41-30)27-33-17-25(42-27)43(2,40)23-7-10-31-11-8-23/h5-10,19-21,28-29,37,39H,2-4,11-18,22-23H2,1H3,(H,38,40,41);2-10,19-21,24,35H,11-18,22H2,1H3,(H,36,37,38);5-10,12-15,17,22,36H,2-4,11,16,18-19H2,1H3,(H,38,39,40);3-8,10-12,14-17,20H,2,9,13,18H2,1H3,(H,34,35,36).

What are the key properties of 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2590.25 g/mol, XLogP of 21.56, 32 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157161668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).