6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C137H140ClN25O11S2 — CID 159064403

About 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159064403) has the molecular formula C137H140ClN25O11S2 and a molecular weight of 2412.38 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159064403
• Molecular Formula: C137H140ClN25O11S2
• Molecular Weight: 2412.38 g/mol
• Exact Mass: 2410.03
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CNc3ccccc3C2)c1=O)C1CCOCC1.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6N(C)S5(=O)=O)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(C3CC(=O)c4ccccc4C3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O
• InChI: InChI=1S/C36H37N5O4S.C34H31ClN6O2.C34H35N7O3S.C33H37N7O2/c1-23-9-4-6-12-29(23)45-30-19-27-22-38-35(39-28-16-14-24(15-17-28)26-11-8-18-37-21-26)40-33(27)41(34(30)42)32-20-25-10-5-7-13-31(25)46(43,44)36(32,2)3;1-20-6-11-28(30(35)14-20)29-16-22-18-37-34(39-24-9-7-23(8-10-24)38-25-12-13-36-19-25)40-32(22)41(33(29)43)26-15-21-4-2-3-5-27(21)31(42)17-26;1-38-18-17-25(22-38)23-13-15-27(16-14-23)36-34-35-21-26-19-30(39(2)28-10-5-4-6-11-28)33(42)41(32(26)37-34)31-20-24-9-7-8-12-29(24)40(3)45(31,43)44;1-22(23-10-16-42-17-11-23)29-19-25-20-36-33(37-26-6-8-27(9-7-26)39-14-12-34-13-15-39)38-31(25)40(32(29)41)28-18-24-4-2-3-5-30(24)35-21-28/h4-7,9-10,12-17,19,22,26,32,37H,8,11,18,20-21H2,1-3H3,(H,38,39,40);2-11,14,16,18,25-26,36,38H,12-13,15,17,19H2,1H3,(H,37,39,40);4-16,19,21,25,31H,17-18,20,22H2,1-3H3,(H,35,36,37);2-9,19-20,23,28,34-35H,1,10-18,21H2,(H,36,37,38)
• InChIKey: JYWJQHSHYKUIIK-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 416.16 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2412.38
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 159064403) is 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CNc3ccccc3C2)c1=O)C1CCOCC1.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6N(C)S5(=O)=O)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(C3CC(=O)c4ccccc4C3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is JYWJQHSHYKUIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O4S.C34H31ClN6O2.C34H35N7O3S.C33H37N7O2/c1-23-9-4-6-12-29(23)45-30-19-27-22-38-35(39-28-16-14-24(15-17-28)26-11-8-18-37-21-26)40-33(27)41(34(30)42)32-20-25-10-5-7-13-31(25)46(43,44)36(32,2)3;1-20-6-11-28(30(35)14-20)29-16-22-18-37-34(39-24-9-7-23(8-10-24)38-25-12-13-36-19-25)40-32(22)41(33(29)43)26-15-21-4-2-3-5-27(21)31(42)17-26;1-38-18-17-25(22-38)23-13-15-27(16-14-23)36-34-35-21-26-19-30(39(2)28-10-5-4-6-11-28)33(42)41(32(26)37-34)31-20-24-9-7-8-12-29(24)40(3)45(31,43)44;1-22(23-10-16-42-17-11-23)29-19-25-20-36-33(37-26-6-8-27(9-7-26)39-14-12-34-13-15-39)38-31(25)40(32(29)41)28-18-24-4-2-3-5-30(24)35-21-28/h4-7,9-10,12-17,19,22,26,32,37H,8,11,18,20-21H2,1-3H3,(H,38,39,40);2-11,14,16,18,25-26,36,38H,12-13,15,17,19H2,1H3,(H,37,39,40);4-16,19,21,25,31H,17-18,20,22H2,1-3H3,(H,35,36,37);2-9,19-20,23,28,34-35H,1,10-18,21H2,(H,36,37,38).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2412.38 g/mol, XLogP of 22.60, 24 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159064403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).