8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C131H132N28O11S4 — CID 157274559

About 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157274559) has the molecular formula C131H132N28O11S4 and a molecular weight of 2402.95 g/mol. Its IUPAC name is 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157274559
• Molecular Formula: C131H132N28O11S4
• Molecular Weight: 2402.95 g/mol
• Exact Mass: 2400.95
• IUPAC Name: 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1(C)Sc2ccccc2C(=O)C1n1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21.CC1=C(c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(C3Cc4ccccc4S(=O)(=O)N3)c2=O)CCC1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O
• InChI: InChI=1S/C36H37N7O2.C33H32N8O2S.C32H34N6O3S.C30H29N7O4S2/c1-23-9-5-6-10-27(23)29-21-24-22-38-35(39-25-13-15-26(16-14-25)42-19-17-37-18-20-42)40-33(24)43(34(29)45)32-31(44)28-11-7-8-12-30(28)41(4)36(32,2)3;1-33(2)29(28(42)25-7-3-4-8-27(25)44-33)41-30-20(16-26(31(41)43)38-23-6-5-14-34-18-23)17-36-32(40-30)39-22-11-9-21(10-12-22)37-24-13-15-35-19-24;1-20-5-4-7-26(20)27-17-24-19-34-32(35-25-11-9-21(10-12-25)22-13-15-33-16-14-22)36-30(24)38(31(27)39)29-18-23-6-2-3-8-28(23)42(40,41)37-29;1-18-27(33-17-42-18)24-13-20-15-32-30(34-21-7-9-22(10-8-21)41-23-11-12-31-16-23)35-28(20)37(29(24)38)26-14-19-5-3-4-6-25(19)43(39,40)36(26)2/h5-16,21-22,32,37H,17-20H2,1-4H3,(H,38,39,40);3-12,14,16-18,24,29,35,37-38H,13,15,19H2,1-2H3,(H,36,39,40);2-3,6,8-12,17,19,22,29,33,37H,4-5,7,13-16,18H2,1H3,(H,34,35,36);3-10,13,15,17,23,26,31H,11-12,14,16H2,1-2H3,(H,32,34,35)
• InChIKey: AYYBRBZFOWFFSL-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 470.60 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.95
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157274559) is 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is CC1(C)Sc2ccccc2C(=O)C1n1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21.CC1=C(c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(C3Cc4ccccc4S(=O)(=O)N3)c2=O)CCC1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.

What is the InChIKey of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AYYBRBZFOWFFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O2.C33H32N8O2S.C32H34N6O3S.C30H29N7O4S2/c1-23-9-5-6-10-27(23)29-21-24-22-38-35(39-25-13-15-26(16-14-25)42-19-17-37-18-20-42)40-33(24)43(34(29)45)32-31(44)28-11-7-8-12-30(28)41(4)36(32,2)3;1-33(2)29(28(42)25-7-3-4-8-27(25)44-33)41-30-20(16-26(31(41)43)38-23-6-5-14-34-18-23)17-36-32(40-30)39-22-11-9-21(10-12-22)37-24-13-15-35-19-24;1-20-5-4-7-26(20)27-17-24-19-34-32(35-25-11-9-21(10-12-25)22-13-15-33-16-14-22)36-30(24)38(31(27)39)29-18-23-6-2-3-8-28(23)42(40,41)37-29;1-18-27(33-17-42-18)24-13-20-15-32-30(34-21-7-9-22(10-8-21)41-23-11-12-31-16-23)35-28(20)37(29(24)38)26-14-19-5-3-4-6-25(19)43(39,40)36(26)2/h5-16,21-22,32,37H,17-20H2,1-4H3,(H,38,39,40);3-12,14,16-18,24,29,35,37-38H,13,15,19H2,1-2H3,(H,36,39,40);2-3,6,8-12,17,19,22,29,33,37H,4-5,7,13-16,18H2,1H3,(H,34,35,36);3-10,13,15,17,23,26,31H,11-12,14,16H2,1-2H3,(H,32,34,35).

What are the key properties of 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2402.95 g/mol, XLogP of 20.40, 23 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157274559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).