6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C119H132N30O8S — CID 158214331

About 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158214331) has the molecular formula C119H132N30O8S and a molecular weight of 2142.63 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158214331
• Molecular Formula: C119H132N30O8S
• Molecular Weight: 2142.63 g/mol
• Exact Mass: 2141.06
• IUPAC Name: 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2cncn2-c2nccs2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ocnc2C2CCOCC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(Cc2ncoc2C2CC2)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccn2-c2ccncc2)c1=O
• InChI: InChI=1S/C31H37N7O3.C30H30N8OS.C29H30N8O2.C29H35N7O2/c1-20(2)21(3)26-16-23-17-33-31(35-24-4-6-25(7-5-24)37-12-10-32-11-13-37)36-29(23)38(30(26)39)18-27-28(34-19-41-27)22-8-14-40-15-9-22;1-19(20-4-5-20)26-13-23-15-34-29(35-24-8-6-21(7-9-24)22-3-2-10-31-14-22)36-27(23)37(28(26)39)17-25-16-32-18-38(25)30-33-11-12-40-30;1-3-39-25-16-22-17-32-29(33-23-6-4-20(5-7-23)21-10-14-35(2)18-21)34-27(22)37(28(25)38)19-26-31-13-15-36(26)24-8-11-30-12-9-24;1-3-18(4-2)24-13-20-14-31-29(34-22-9-7-21(8-10-22)33-23-11-12-30-15-23)35-27(20)36(28(24)37)16-25-26(19-5-6-19)38-17-32-25/h4-7,16-17,19-20,22,32H,3,8-15,18H2,1-2H3,(H,33,35,36);6-9,11-13,15-16,18,20,22,31H,1-5,10,14,17H2,(H,34,35,36);4-9,11-13,15-17,21H,3,10,14,18-19H2,1-2H3,(H,32,33,34);7-10,13-14,17-19,23,30,33H,3-6,11-12,15-16H2,1-2H3,(H,31,34,35)
• InChIKey: GCLNHPQRWLFUPT-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 425.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.63
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

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-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158214331) is 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2cncn2-c2nccs2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ocnc2C2CCOCC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(Cc2ncoc2C2CC2)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccn2-c2ccncc2)c1=O.

What is the InChIKey of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GCLNHPQRWLFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O3.C30H30N8OS.C29H30N8O2.C29H35N7O2/c1-20(2)21(3)26-16-23-17-33-31(35-24-4-6-25(7-5-24)37-12-10-32-11-13-37)36-29(23)38(30(26)39)18-27-28(34-19-41-27)22-8-14-40-15-9-22;1-19(20-4-5-20)26-13-23-15-34-29(35-24-8-6-21(7-9-24)22-3-2-10-31-14-22)36-27(23)37(28(26)39)17-25-16-32-18-38(25)30-33-11-12-40-30;1-3-39-25-16-22-17-32-29(33-23-6-4-20(5-7-23)21-10-14-35(2)18-21)34-27(22)37(28(25)38)19-26-31-13-15-36(26)24-8-11-30-12-9-24;1-3-18(4-2)24-13-20-14-31-29(34-22-9-7-21(8-10-22)33-23-11-12-30-15-23)35-27(20)36(28(24)37)16-25-26(19-5-6-19)38-17-32-25/h4-7,16-17,19-20,22,32H,3,8-15,18H2,1-2H3,(H,33,35,36);6-9,11-13,15-16,18,20,22,31H,1-5,10,14,17H2,(H,34,35,36);4-9,11-13,15-17,21H,3,10,14,18-19H2,1-2H3,(H,32,33,34);7-10,13-14,17-19,23,30,33H,3-6,11-12,15-16H2,1-2H3,(H,31,34,35).

What are the key properties of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2142.63 g/mol, XLogP of 18.77, 34 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158214331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).