8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C135H137F2N29O8S3 — CID 157378184

About 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157378184) has the molecular formula C135H137F2N29O8S3 and a molecular weight of 2427.97 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157378184
• Molecular Formula: C135H137F2N29O8S3
• Molecular Weight: 2427.97 g/mol
• Exact Mass: 2426.03
• IUPAC Name: 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CC1CN(c2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(C5Cc6ccccc6C(=O)N5C)c4n3)cc2F)CCN1.CN1CCC(Oc2ccc(Nc3ncc4cc(Nc5cccnc5)c(=O)n(C5CSc6ccccc6C5)c4n3)cc2)CC1.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O
• InChI: InChI=1S/C36H34FN7O2.C34H39FN8O2.C33H33N7O2S.C32H31N7O2S2/c1-22-20-38-15-16-43(22)31-14-13-27(19-29(31)37)40-36-39-21-26-17-28(23(2)24-9-5-4-6-10-24)34(45)44(33(26)41-36)32-18-25-11-7-8-12-30(25)42(3)35(32)46;1-21-20-42(15-13-36-21)29-12-11-24(18-27(29)35)38-34-37-19-23-16-26(28-10-6-7-14-40(28)2)33(45)43(31(23)39-34)30-17-22-8-4-5-9-25(22)32(44)41(30)3;1-39-15-12-28(13-16-39)42-27-10-8-24(9-11-27)37-33-35-19-23-18-29(36-25-6-4-14-34-20-25)32(41)40(31(23)38-33)26-17-22-5-2-3-7-30(22)43-21-26;1-19-28(34-18-43-19)24-14-21-15-33-32(35-22-10-8-20(9-11-22)27-17-37(2)12-13-42-27)36-30(21)39(31(24)41)26-16-38(3)25-7-5-4-6-23(25)29(26)40/h4-14,17,19,21-22,32,38H,2,15-16,18,20H2,1,3H3,(H,39,40,41);4-5,8-9,11-12,16,18-19,21,28,30,36H,6-7,10,13-15,17,20H2,1-3H3,(H,37,38,39);2-11,14,18-20,26,28,36H,12-13,15-17,21H2,1H3,(H,35,37,38);4-11,14-15,18,26-27H,12-13,16-17H2,1-3H3,(H,33,35,36)
• InChIKey: BKOGVJYVSLBMPM-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 387.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.97
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

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-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 157378184) is 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CC1CN(c2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(C5Cc6ccccc6C(=O)N5C)c4n3)cc2F)CCN1.CN1CCC(Oc2ccc(Nc3ncc4cc(Nc5cccnc5)c(=O)n(C5CSc6ccccc6C5)c4n3)cc2)CC1.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.

What is the InChIKey of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BKOGVJYVSLBMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FN7O2.C34H39FN8O2.C33H33N7O2S.C32H31N7O2S2/c1-22-20-38-15-16-43(22)31-14-13-27(19-29(31)37)40-36-39-21-26-17-28(23(2)24-9-5-4-6-10-24)34(45)44(33(26)41-36)32-18-25-11-7-8-12-30(25)42(3)35(32)46;1-21-20-42(15-13-36-21)29-12-11-24(18-27(29)35)38-34-37-19-23-16-26(28-10-6-7-14-40(28)2)33(45)43(31(23)39-34)30-17-22-8-4-5-9-25(22)32(44)41(30)3;1-39-15-12-28(13-16-39)42-27-10-8-24(9-11-27)37-33-35-19-23-18-29(36-25-6-4-14-34-20-25)32(41)40(31(23)38-33)26-17-22-5-2-3-7-30(22)43-21-26;1-19-28(34-18-43-19)24-14-21-15-33-32(35-22-10-8-20(9-11-22)27-17-37(2)12-13-42-27)36-30(21)39(31(24)41)26-16-38(3)25-7-5-4-6-23(25)29(26)40/h4-14,17,19,21-22,32,38H,2,15-16,18,20H2,1,3H3,(H,39,40,41);4-5,8-9,11-12,16,18-19,21,28,30,36H,6-7,10,13-15,17,20H2,1-3H3,(H,37,38,39);2-11,14,18-20,26,28,36H,12-13,15-17,21H2,1H3,(H,35,37,38);4-11,14-15,18,26-27H,12-13,16-17H2,1-3H3,(H,33,35,36).

What are the key properties of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2427.97 g/mol, XLogP of 21.35, 23 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(1-methylpiperidin-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157378184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).