8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C139H146N26O13S3 — CID 158397037

About 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158397037) has the molecular formula C139H146N26O13S3 and a molecular weight of 2485.07 g/mol. Its IUPAC name is 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-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-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158397037
• Molecular Formula: C139H146N26O13S3
• Molecular Weight: 2485.07 g/mol
• Exact Mass: 2483.07
• IUPAC Name: 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2)c1=O.CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(C5Cc6ccccc6NS5(=O)=O)c4n3)cc2)C1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(C2Cc3ccccc3SC2(C)C)c1=O
• InChI: InChI=1S/C37H39N7O3.C36H37N5O3S.C34H32N6O4S.C32H38N8O3S/c1-37(2)33(32(45)29-14-8-9-15-30(29)43(37)4)44-34-24(21-31(35(44)46)42(3)26-11-6-5-7-12-26)22-39-36(41-34)40-25-16-18-27(19-17-25)47-28-13-10-20-38-23-28;1-23-8-4-6-10-29(23)44-30-20-25-22-38-35(39-26-12-14-27(15-13-26)43-28-16-18-37-19-17-28)40-33(25)41(34(30)42)32-21-24-9-5-7-11-31(24)45-36(32,2)3;1-22(23-8-4-3-5-9-23)28-18-26-20-35-34(36-27-14-12-24(13-15-27)29-21-39(2)16-17-44-29)37-32(26)40(33(28)41)31-19-25-10-6-7-11-30(25)45(42,43)38-31;1-38-16-14-25(20-38)34-23-10-12-24(13-11-23)35-32-33-19-22-17-26(28-9-5-6-15-39(28)2)31(41)40(30(22)36-32)29-18-21-7-3-4-8-27(21)37-44(29,42)43/h5-9,11-12,14-19,21-22,28,33,38H,10,13,20,23H2,1-4H3,(H,39,40,41);4-15,20,22,28,32,37H,16-19,21H2,1-3H3,(H,38,39,40);3-15,18,20,29,31,38H,1,16-17,19,21H2,2H3,(H,35,36,37);3-4,7-8,10-13,17,19,25,28-29,34,37H,5-6,9,14-16,18,20H2,1-2H3,(H,33,35,36)
• InChIKey: GXQCEVJDSCKFEH-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 437.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2485.07
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-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-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158397037) is 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-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-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-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-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2)c1=O.CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(C5Cc6ccccc6NS5(=O)=O)c4n3)cc2)C1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(C2Cc3ccccc3SC2(C)C)c1=O.

What is the InChIKey of 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GXQCEVJDSCKFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N7O3.C36H37N5O3S.C34H32N6O4S.C32H38N8O3S/c1-37(2)33(32(45)29-14-8-9-15-30(29)43(37)4)44-34-24(21-31(35(44)46)42(3)26-11-6-5-7-12-26)22-39-36(41-34)40-25-16-18-27(19-17-25)47-28-13-10-20-38-23-28;1-23-8-4-6-10-29(23)44-30-20-25-22-38-35(39-26-12-14-27(15-13-26)43-28-16-18-37-19-17-28)40-33(25)41(34(30)42)32-21-24-9-5-7-11-31(24)45-36(32,2)3;1-22(23-8-4-3-5-9-23)28-18-26-20-35-34(36-27-14-12-24(13-15-27)29-21-39(2)16-17-44-29)37-32(26)40(33(28)41)31-19-25-10-6-7-11-30(25)45(42,43)38-31;1-38-16-14-25(20-38)34-23-10-12-24(13-11-23)35-32-33-19-22-17-26(28-9-5-6-15-39(28)2)31(41)40(30(22)36-32)29-18-21-7-3-4-8-27(21)37-44(29,42)43/h5-9,11-12,14-19,21-22,28,33,38H,10,13,20,23H2,1-4H3,(H,39,40,41);4-15,20,22,28,32,37H,16-19,21H2,1-3H3,(H,38,39,40);3-15,18,20,29,31,38H,1,16-17,19,21H2,2H3,(H,35,36,37);3-4,7-8,10-13,17,19,25,28-29,34,37H,5-6,9,14-16,18,20H2,1-2H3,(H,33,35,36).

What are the key properties of 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2485.07 g/mol, XLogP of 22.46, 26 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-3-yl)-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158397037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).