2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C131H129FN28O9S2 — CID 158091792

About 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158091792) has the molecular formula C131H129FN28O9S2 and a molecular weight of 2322.79 g/mol. Its IUPAC name is 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158091792
• Molecular Formula: C131H129FN28O9S2
• Molecular Weight: 2322.79 g/mol
• Exact Mass: 2320.99
• IUPAC Name: 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2Cc3ccccc3NC2=O)c1=O.O=C1CC(n2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc32)Cc2ccccc21
• InChI: InChI=1S/C35H33N5O3.C34H40N8O2.C32H29N7O2S.C30H27FN8O2S/c1-22-7-3-5-9-28(22)30-19-24-20-36-35(37-25-12-14-26(15-13-25)43-27-17-18-39(2)21-27)38-33(24)40(34(30)42)31-16-11-23-8-4-6-10-29(23)32(31)41;1-40-18-6-5-9-29(40)28-19-23-21-36-34(37-24-10-12-25(13-11-24)41(2)26-14-16-35-17-15-26)39-31(23)42(33(28)44)30-20-22-7-3-4-8-27(22)32(43)38-30;40-28-16-25(14-21-4-1-2-6-26(21)28)39-30-22(15-27(31(39)41)36-24-5-3-11-33-18-24)17-35-32(38-30)37-23-9-7-20(8-10-23)29-19-34-12-13-42-29;1-17-26(34-16-42-17)21-12-19-15-33-30(35-20-6-7-24(22(31)14-20)38-10-8-32-9-11-38)37-27(19)39(29(21)41)25-13-18-4-2-3-5-23(18)36-28(25)40/h3-10,12-15,19-20,27,31H,11,16-18,21H2,1-2H3,(H,36,37,38);3-4,7-8,10-13,19,21,26,29-30,35H,5-6,9,14-18,20H2,1-2H3,(H,38,43)(H,36,37,39);1-11,15,17-18,25,29,34,36H,12-14,16,19H2,(H,35,37,38);2-7,12,14-16,25,32H,8-11,13H2,1H3,(H,36,40)(H,33,35,37)
• InChIKey: FOEPUNXVEAQUNQ-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 427.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.79
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158091792) is 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2Cc3ccccc3NC2=O)c1=O.O=C1CC(n2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc32)Cc2ccccc21.

What is the InChIKey of 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FOEPUNXVEAQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O3.C34H40N8O2.C32H29N7O2S.C30H27FN8O2S/c1-22-7-3-5-9-28(22)30-19-24-20-36-35(37-25-12-14-26(15-13-25)43-27-17-18-39(2)21-27)38-33(24)40(34(30)42)31-16-11-23-8-4-6-10-29(23)32(31)41;1-40-18-6-5-9-29(40)28-19-23-21-36-34(37-24-10-12-25(13-11-24)41(2)26-14-16-35-17-15-26)39-31(23)42(33(28)44)30-20-22-7-3-4-8-27(22)32(43)38-30;40-28-16-25(14-21-4-1-2-6-26(21)28)39-30-22(15-27(31(39)41)36-24-5-3-11-33-18-24)17-35-32(38-30)37-23-9-7-20(8-10-23)29-19-34-12-13-42-29;1-17-26(34-16-42-17)21-12-19-15-33-30(35-20-6-7-24(22(31)14-20)38-10-8-32-9-11-38)37-27(19)39(29(21)41)25-13-18-4-2-3-5-23(18)36-28(25)40/h3-10,12-15,19-20,27,31H,11,16-18,21H2,1-2H3,(H,36,37,38);3-4,7-8,10-13,19,21,26,29-30,35H,5-6,9,14-18,20H2,1-2H3,(H,38,43)(H,36,37,39);1-11,15,17-18,25,29,34,36H,12-14,16,19H2,(H,35,37,38);2-7,12,14-16,25,32H,8-11,13H2,1H3,(H,36,40)(H,33,35,37).

What are the key properties of 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2322.79 g/mol, XLogP of 20.00, 23 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1,3-thiazol-4-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).