6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C130H148N26O11S3 — CID 158588430

About 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158588430) has the molecular formula C130H148N26O11S3 and a molecular weight of 2346.99 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158588430
• Molecular Formula: C130H148N26O11S3
• Molecular Weight: 2346.99 g/mol
• Exact Mass: 2345.10
• IUPAC Name: 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2)c1=O
• InChI: InChI=1S/C35H39N7O2.C34H38N6O2S.C32H39N7O3S.C29H32N6O4S/c1-22(23-10-11-23)28-20-24-21-36-34(37-25-12-14-26(15-13-25)41-18-16-39(4)17-19-41)38-32(24)42(33(28)44)31-30(43)27-8-6-7-9-29(27)40(5)35(31,2)3;1-20(2)22(4)26-18-23-19-36-33(37-24-11-12-27(21(3)17-24)39-15-13-35-14-16-39)38-31(23)40(32(26)42)30-29(41)25-9-7-8-10-28(25)43-34(30,5)6;1-4-21(5-2)27-17-23-19-34-32(36-25-14-12-24(13-15-25)35-26-10-8-16-33-20-26)37-30(23)39(31(27)40)29-18-22-9-6-7-11-28(22)43(41,42)38(29)3;1-3-39-24-16-22-18-30-29(31-23-10-8-19(9-11-23)20-12-14-34(2)15-13-20)32-27(22)35(28(24)36)26-17-21-6-4-5-7-25(21)40(37,38)33-26/h6-9,12-15,20-21,23,31H,1,10-11,16-19H2,2-5H3,(H,36,37,38);7-12,17-20,30,35H,4,13-16H2,1-3,5-6H3,(H,36,37,38);6-7,9,11-15,17,19,21,26,29,33,35H,4-5,8,10,16,18,20H2,1-3H3,(H,34,36,37);4-11,16,18,20,26,33H,3,12-15,17H2,1-2H3,(H,30,31,32)
• InChIKey: HUCYPCMRPJUAQT-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 418.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.99
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

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-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158588430) is 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2C)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)N2)c1=O.

What is the InChIKey of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HUCYPCMRPJUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O2.C34H38N6O2S.C32H39N7O3S.C29H32N6O4S/c1-22(23-10-11-23)28-20-24-21-36-34(37-25-12-14-26(15-13-25)41-18-16-39(4)17-19-41)38-32(24)42(33(28)44)31-30(43)27-8-6-7-9-29(27)40(5)35(31,2)3;1-20(2)22(4)26-18-23-19-36-33(37-24-11-12-27(21(3)17-24)39-15-13-35-14-16-39)38-31(23)40(32(26)42)30-29(41)25-9-7-8-10-28(25)43-34(30,5)6;1-4-21(5-2)27-17-23-19-34-32(36-25-14-12-24(13-15-25)35-26-10-8-16-33-20-26)37-30(23)39(31(27)40)29-18-22-9-6-7-11-28(22)43(41,42)38(29)3;1-3-39-24-16-22-18-30-29(31-23-10-8-19(9-11-23)20-12-14-34(2)15-13-20)32-27(22)35(28(24)36)26-17-21-6-4-5-7-25(21)40(37,38)33-26/h6-9,12-15,20-21,23,31H,1,10-11,16-19H2,2-5H3,(H,36,37,38);7-12,17-20,30,35H,4,13-16H2,1-3,5-6H3,(H,36,37,38);6-7,9,11-15,17,19,21,26,29,33,35H,4-5,8,10,16,18,20H2,1-3H3,(H,34,36,37);4-11,16,18,20,26,33H,3,12-15,17H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2346.99 g/mol, XLogP of 20.35, 26 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-3-yl)-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158588430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).