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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C131H142F3N27O12S8 — CID 161356011

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 161356011) has the molecular formula C131H142F3N27O12S8 and a molecular weight of 2600.28 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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 161356011
• Molecular Formula: C131H142F3N27O12S8
• Molecular Weight: 2600.28 g/mol
• Exact Mass: 2597.90
• 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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: 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.Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C36H43N7O3S.C34H36N6O4S2.C31H29F3N6O3S2.C30H26N8O2S3.4H2/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;1-19-4-9-24(45(42,43)18-31(32,33)34)14-25(19)26-13-22-16-37-30(39-28(22)40(29(26)41)17-27-36-11-12-44-27)38-23-7-5-20(6-8-23)21-3-2-10-35-15-21;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);4-9,11-14,16,21,35H,2-3,10,15,17-18H2,1H3,(H,37,38,39);3-8,10-12,14-17,20H,2,9,13,18H2,1H3,(H,34,35,36);4*1H
• InChIKey: VOOAYROENHLENJ-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 469.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2600.28
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 161356011) 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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is 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.Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O.[H][H].[H][H].[H][H].[H][H].

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is VOOAYROENHLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N7O3S.C34H36N6O4S2.C31H29F3N6O3S2.C30H26N8O2S3.4H2/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;1-19-4-9-24(45(42,43)18-31(32,33)34)14-25(19)26-13-22-16-37-30(39-28(22)40(29(26)41)17-27-36-11-12-44-27)38-23-7-5-20(6-8-23)21-3-2-10-35-15-21;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);4-9,11-14,16,21,35H,2-3,10,15,17-18H2,1H3,(H,37,38,39);3-8,10-12,14-17,20H,2,9,13,18H2,1H3,(H,34,35,36);4*1H.

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2600.28 g/mol, XLogP of 22.24, 32 rotatable bonds, 8 hydrogen bond donors, and 42 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-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 161356011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).