6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C127H133F6N25O13S9 — CID 161196193

About 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161196193) has the molecular formula C127H133F6N25O13S9 and a molecular weight of 2620.21 g/mol. Its IUPAC name is 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161196193
• Molecular Formula: C127H133F6N25O13S9
• Molecular Weight: 2620.21 g/mol
• Exact Mass: 2617.79
• IUPAC Name: 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(CC(F)(F)F)c1csc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC(F)(F)F)c2=O)c1.C=S(=O)(c1ccc(C)c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(Cc3nccs3)c2=O)c1)C1CCOCC1.C=S(=O)(c1cncs1)c1cnc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(-c3nccs3)c2=O)s1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(CC3CCOCC3)c2=O)cccc1S(=O)(=O)C1CCN(C)CC1
• InChI: InChI=1S/C38H48N6O4S.C36H40N6O3S2.C27H22N8O3S4.C26H23F6N5O3S2/c1-26-33(5-4-6-35(26)49(46,47)32-13-19-43(3)20-14-32)34-23-30-24-39-38(41-36(30)44(37(34)45)25-27-15-21-48-22-16-27)40-31-9-7-28(8-10-31)29-11-17-42(2)18-12-29;1-24-6-11-30(47(3,44)29-12-16-45-17-13-29)20-31(24)32-19-27-21-38-36(40-34(27)42(35(32)43)23-33-37-14-18-46-33)39-28-9-7-25(8-10-28)26-5-4-15-41(2)22-26;1-42(37,21-13-29-15-40-21)22-14-31-24(41-22)19-10-17-11-32-26(34-23(17)35(25(19)36)27-30-7-9-39-27)33-18-4-2-16(3-5-18)20-12-28-6-8-38-20;1-42(39,14-26(30,31)32)19-9-21(41-12-19)20-8-15-10-34-24(36-22(15)37(23(20)38)13-25(27,28)29)35-16-2-4-17(5-3-16)40-18-6-7-33-11-18/h4-10,23-24,27,29,32H,11-22,25H2,1-3H3,(H,39,40,41);6-11,14,18-21,26,29H,3-5,12-13,15-17,22-23H2,1-2H3,(H,38,39,40);2-5,7,9-11,13-15,20,28H,1,6,8,12H2,(H,32,33,34);2-5,8-10,12,18,33H,1,6-7,11,13-14H2,(H,34,35,36)
• InChIKey: UUJGLAXDPBLPSU-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 446.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2620.21
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 161196193) is 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is C=S(=O)(CC(F)(F)F)c1csc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC(F)(F)F)c2=O)c1.C=S(=O)(c1ccc(C)c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(Cc3nccs3)c2=O)c1)C1CCOCC1.C=S(=O)(c1cncs1)c1cnc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(-c3nccs3)c2=O)s1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(CC3CCOCC3)c2=O)cccc1S(=O)(=O)C1CCN(C)CC1.

What is the InChIKey of 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UUJGLAXDPBLPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O4S.C36H40N6O3S2.C27H22N8O3S4.C26H23F6N5O3S2/c1-26-33(5-4-6-35(26)49(46,47)32-13-19-43(3)20-14-32)34-23-30-24-39-38(41-36(30)44(37(34)45)25-27-15-21-48-22-16-27)40-31-9-7-28(8-10-31)29-11-17-42(2)18-12-29;1-24-6-11-30(47(3,44)29-12-16-45-17-13-29)20-31(24)32-19-27-21-38-36(40-34(27)42(35(32)43)23-33-37-14-18-46-33)39-28-9-7-25(8-10-28)26-5-4-15-41(2)22-26;1-42(37,21-13-29-15-40-21)22-14-31-24(41-22)19-10-17-11-32-26(34-23(17)35(25(19)36)27-30-7-9-39-27)33-18-4-2-16(3-5-18)20-12-28-6-8-38-20;1-42(39,14-26(30,31)32)19-9-21(41-12-19)20-8-15-10-34-24(36-22(15)37(23(20)38)13-25(27,28)29)35-16-2-4-17(5-3-16)40-18-6-7-33-11-18/h4-10,23-24,27,29,32H,11-22,25H2,1-3H3,(H,39,40,41);6-11,14,18-21,26,29H,3-5,12-13,15-17,22-23H2,1-2H3,(H,38,39,40);2-5,7,9-11,13-15,20,28H,1,6,8,12H2,(H,32,33,34);2-5,8-10,12,18,33H,1,6-7,11,13-14H2,(H,34,35,36).

What are the key properties of 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2620.21 g/mol, XLogP of 21.25, 31 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-1,3-thiazol-2-yl]-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]thiophen-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-3-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161196193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).