6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C124H138N26O13S8 — CID 160675506

About 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160675506) has the molecular formula C124H138N26O13S8 and a molecular weight of 2457.17 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160675506
• Molecular Formula: C124H138N26O13S8
• Molecular Weight: 2457.17 g/mol
• Exact Mass: 2454.87
• IUPAC Name: 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ccsc2S(=O)(=O)C(C)C)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2sccc2S(=O)CCOC)c1=O)C(C)C.CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(Cc3occc3S(=O)c3nccs3)c2=O)CCC1.CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5nn(C)cc5S(=O)(=O)c5nccs5)c4n3)cc2)C1
• InChI: InChI=1S/C32H32N6O4S2.C31H36N6O3S2.C31H38N6O3S2.C30H32N8O3S2/c1-20-3-2-4-25(20)26-17-21-18-35-31(36-22-5-7-23(8-6-22)42-24-9-12-33-13-10-24)37-29(21)38(30(26)39)19-27-28(11-15-41-27)44(40)32-34-14-16-43-32;1-20(2)42(39,40)30-23(11-16-41-30)19-37-28-24(17-27(29(37)38)21(3)22-5-6-22)18-32-31(34-28)33-25-7-9-26(10-8-25)36-14-12-35(4)13-15-36;1-20(2)22(4)25-17-23-18-33-31(34-24-6-7-26(21(3)16-24)36-11-9-32-10-12-36)35-29(23)37(30(25)38)19-27-28(8-14-41-27)42(39)15-13-40-5;1-36-12-3-4-21(16-36)19-7-9-23(10-8-19)33-29-32-15-22-14-24(20-5-6-20)28(39)38(27(22)34-29)17-25-26(18-37(2)35-25)43(40,41)30-31-11-13-42-30/h5-8,11,14-18,24,33H,2-4,9-10,12-13,19H2,1H3,(H,35,36,37);7-11,16-18,20,22H,3,5-6,12-15,19H2,1-2,4H3,(H,32,33,34);6-8,14,16-18,20,32H,4,9-13,15,19H2,1-3,5H3,(H,33,34,35);7-11,13-15,18,20-21H,3-6,12,16-17H2,1-2H3,(H,32,33,34)
• InChIKey: RNLYHKSCOBCZKX-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 453.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 37
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.17
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

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-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160675506) is 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ccsc2S(=O)(=O)C(C)C)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2sccc2S(=O)CCOC)c1=O)C(C)C.CC1=C(c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(Cc3occc3S(=O)c3nccs3)c2=O)CCC1.CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5nn(C)cc5S(=O)(=O)c5nccs5)c4n3)cc2)C1.

What is the InChIKey of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RNLYHKSCOBCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O4S2.C31H36N6O3S2.C31H38N6O3S2.C30H32N8O3S2/c1-20-3-2-4-25(20)26-17-21-18-35-31(36-22-5-7-23(8-6-22)42-24-9-12-33-13-10-24)37-29(21)38(30(26)39)19-27-28(11-15-41-27)44(40)32-34-14-16-43-32;1-20(2)42(39,40)30-23(11-16-41-30)19-37-28-24(17-27(29(37)38)21(3)22-5-6-22)18-32-31(34-28)33-25-7-9-26(10-8-25)36-14-12-35(4)13-15-36;1-20(2)22(4)25-17-23-18-33-31(34-24-6-7-26(21(3)16-24)36-11-9-32-10-12-36)35-29(23)37(30(25)38)19-27-28(8-14-41-27)42(39)15-13-40-5;1-36-12-3-4-21(16-36)19-7-9-23(10-8-19)33-29-32-15-22-14-24(20-5-6-20)28(39)38(27(22)34-29)17-25-26(18-37(2)35-25)43(40,41)30-31-11-13-42-30/h5-8,11,14-18,24,33H,2-4,9-10,12-13,19H2,1H3,(H,35,36,37);7-11,16-18,20,22H,3,5-6,12-15,19H2,1-2,4H3,(H,32,33,34);6-8,14,16-18,20,32H,4,9-13,15,19H2,1-3,5H3,(H,33,34,35);7-11,13-15,18,20-21H,3-6,12,16-17H2,1-2H3,(H,32,33,34).

What are the key properties of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2457.17 g/mol, XLogP of 19.97, 37 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160675506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).