8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one

C142H148N26O10S — CID 157148775

About 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one

8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157148775) has the molecular formula C142H148N26O10S and a molecular weight of 2410.98 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157148775
• Molecular Formula: C142H148N26O10S
• Molecular Weight: 2410.98 g/mol
• Exact Mass: 2409.16
• IUPAC Name: 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2CNc3ccccc3C2=O)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6N(C)C5)c4n3)cc2)CC1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C36H40N8O.C36H35N7O2.C35H34N6O4.C35H39N5O3S/c1-41-19-17-29(18-20-41)38-27-13-15-28(16-14-27)39-36-37-23-26-22-33(43(3)30-10-5-4-6-11-30)35(45)44(34(26)40-36)31-21-25-9-7-8-12-32(25)42(2)24-31;1-23(24-9-4-3-5-10-24)30-19-25-20-38-36(40-27-16-14-26(15-17-27)39-28-11-8-18-42(2)22-28)41-34(25)43(35(30)45)32-21-37-31-13-7-6-12-29(31)33(32)44;1-22-8-3-5-11-29(22)45-31-18-23-19-37-35(38-24-13-15-25(16-14-24)40(2)26-9-7-17-36-20-26)39-33(23)41(34(31)43)28-21-44-30-12-6-4-10-27(30)32(28)42;1-23(24-13-16-42-17-14-24)31-19-26-20-36-35(37-27-9-11-29(12-10-27)43-30-7-5-15-39(2)21-30)38-33(26)40(34(31)41)28-18-25-6-3-4-8-32(25)44-22-28/h4-16,22-23,29,31,38H,17-21,24H2,1-3H3,(H,37,39,40);3-7,9-10,12-17,19-20,28,32,37,39H,1,8,11,18,21-22H2,2H3,(H,38,40,41);3-6,8,10-16,18-19,26,28,36H,7,9,17,20-21H2,1-2H3,(H,37,38,39);3-4,6,8-12,19-20,24,28,30H,1,5,7,13-18,21-22H2,2H3,(H,36,37,38)
• InChIKey: AKZZGAUKCFXHEX-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 377.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.98
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one (CID 157148775) is 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)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-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2CNc3ccccc3C2=O)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6N(C)C5)c4n3)cc2)CC1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O.

What is the InChIKey of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AKZZGAUKCFXHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N8O.C36H35N7O2.C35H34N6O4.C35H39N5O3S/c1-41-19-17-29(18-20-41)38-27-13-15-28(16-14-27)39-36-37-23-26-22-33(43(3)30-10-5-4-6-11-30)35(45)44(34(26)40-36)31-21-25-9-7-8-12-32(25)42(2)24-31;1-23(24-9-4-3-5-10-24)30-19-25-20-38-36(40-27-16-14-26(15-17-27)39-28-11-8-18-42(2)22-28)41-34(25)43(35(30)45)32-21-37-31-13-7-6-12-29(31)33(32)44;1-22-8-3-5-11-29(22)45-31-18-23-19-37-35(38-24-13-15-25(16-14-24)40(2)26-9-7-17-36-20-26)39-33(23)41(34(31)43)28-21-44-30-12-6-4-10-27(30)32(28)42;1-23(24-13-16-42-17-14-24)31-19-26-20-36-35(37-27-9-11-29(12-10-27)43-30-7-5-15-39(2)21-30)38-33(26)40(34(31)41)28-18-25-6-3-4-8-32(25)44-22-28/h4-16,22-23,29,31,38H,17-21,24H2,1-3H3,(H,37,39,40);3-7,9-10,12-17,19-20,28,32,37,39H,1,8,11,18,21-22H2,2H3,(H,38,40,41);3-6,8,10-16,18-19,26,28,36H,7,9,17,20-21H2,1-2H3,(H,37,38,39);3-4,6,8-12,19-20,24,28,30H,1,5,7,13-18,21-22H2,2H3,(H,36,37,38).

What are the key properties of 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one?

8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2410.98 g/mol, XLogP of 23.97, 28 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157148775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).