6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one

C129H127ClFN23O10S — CID 157374412

About 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157374412) has the molecular formula C129H127ClFN23O10S and a molecular weight of 2246.10 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157374412
• Molecular Formula: C129H127ClFN23O10S
• Molecular Weight: 2246.10 g/mol
• Exact Mass: 2243.95
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O)C1CCOCC1.C=C1C=Cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2N1C1Cc2ccccc2NC1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(C3CC(=O)c4ccccc4C3)c2=O)c(Cl)c1
• InChI: InChI=1S/C36H34ClN5O3.C36H39N5O4.C29H26FN7O2.C28H28N6OS/c1-22-7-12-30(32(37)17-22)31-19-24-21-38-36(39-25-8-10-27(11-9-25)45-28-13-15-41(2)16-14-28)40-34(24)42(35(31)44)26-18-23-5-3-4-6-29(23)33(43)20-26;1-23(24-15-18-44-19-16-24)31-20-26-21-37-36(38-27-10-12-28(13-11-27)45-29-7-5-17-40(2)22-29)39-34(26)41(35(31)43)32-14-9-25-6-3-4-8-30(25)33(32)42;1-3-18-12-20-15-32-29(33-21-8-9-24(23(30)14-21)36-11-10-31-17(2)16-36)35-26(20)37(28(18)39)25-13-19-6-4-5-7-22(19)27(38)34-25;1-18-7-8-21-16-29-28(30-22-11-9-19(10-12-22)25-17-33(2)13-14-36-25)32-26(21)34(18)24-15-20-5-3-4-6-23(20)31-27(24)35/h3-12,17,19,21,26,28H,13-16,18,20H2,1-2H3,(H,38,39,40);3-4,6,8,10-13,20-21,24,29,32H,1,5,7,9,14-19,22H2,2H3,(H,37,38,39);1,4-9,12,14-15,17,25,31H,10-11,13,16H2,2H3,(H,34,38)(H,32,33,35);3-12,16,24-25H,1,13-15,17H2,2H3,(H,31,35)(H,29,30,32)
• InChIKey: BKDNMUGOTONJPS-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 365.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.10
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157374412) is 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O)C1CCOCC1.C=C1C=Cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2N1C1Cc2ccccc2NC1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(C3CC(=O)c4ccccc4C3)c2=O)c(Cl)c1.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BKDNMUGOTONJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34ClN5O3.C36H39N5O4.C29H26FN7O2.C28H28N6OS/c1-22-7-12-30(32(37)17-22)31-19-24-21-38-36(39-25-8-10-27(11-9-25)45-28-13-15-41(2)16-14-28)40-34(24)42(35(31)44)26-18-23-5-3-4-6-29(23)33(43)20-26;1-23(24-15-18-44-19-16-24)31-20-26-21-37-36(38-27-10-12-28(13-11-27)45-29-7-5-17-40(2)22-29)39-34(26)41(35(31)43)32-14-9-25-6-3-4-8-30(25)33(32)42;1-3-18-12-20-15-32-29(33-21-8-9-24(23(30)14-21)36-11-10-31-17(2)16-36)35-26(20)37(28(18)39)25-13-19-6-4-5-7-22(19)27(38)34-25;1-18-7-8-21-16-29-28(30-22-11-9-19(10-12-22)25-17-33(2)13-14-36-25)32-26(21)34(18)24-15-20-5-3-4-6-23(20)31-27(24)35/h3-12,17,19,21,26,28H,13-16,18,20H2,1-2H3,(H,38,39,40);3-4,6,8,10-13,20-21,24,29,32H,1,5,7,9,14-19,22H2,2H3,(H,37,38,39);1,4-9,12,14-15,17,25,31H,10-11,13,16H2,2H3,(H,34,38)(H,32,33,35);3-12,16,24-25H,1,13-15,17H2,2H3,(H,31,35)(H,29,30,32).

What are the key properties of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2246.10 g/mol, XLogP of 20.61, 21 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;3-[7-methylidene-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydro-1H-quinolin-2-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157374412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).