8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C123H144N32O7S — CID 160858206

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

8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160858206) has the molecular formula C123H144N32O7S and a molecular weight of 2214.79 g/mol. Its IUPAC name is 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160858206
• Molecular Formula: C123H144N32O7S
• Molecular Weight: 2214.79 g/mol
• Exact Mass: 2213.16
• IUPAC Name: 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2nccn2-c2nccs2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2cncn2C2CCOCC2)c1=O)C(C)C.C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ncoc2C2=CCCC2)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(Cc2ocnc2C2CC2)c1=O
• InChI: InChI=1S/C32H40N8O2.C31H36N8O2.C30H31N9OS.C30H37N7O2/c1-21(2)23(4)28-16-24-17-35-32(36-25-5-6-29(22(3)15-25)38-11-9-33-10-12-38)37-30(24)39(31(28)41)19-27-18-34-20-40(27)26-7-13-42-14-8-26;1-20(38(2)3)26-16-22-17-33-31(36-24-10-8-23(9-11-24)35-25-12-14-32-15-13-25)37-29(22)39(30(26)40)18-27-28(41-19-34-27)21-6-4-5-7-21;1-20(21-3-4-21)25-17-22-18-33-29(34-23-5-7-24(8-6-23)37-14-12-36(2)13-15-37)35-27(22)39(28(25)40)19-26-31-9-11-38(26)30-32-10-16-41-30;1-3-19(4-2)25-14-21-15-32-30(35-23-11-9-22(10-12-23)34-24-6-5-13-31-16-24)36-28(21)37(29(25)38)17-26-27(20-7-8-20)33-18-39-26/h5-6,15-18,20-21,26,33H,4,7-14,19H2,1-3H3,(H,35,36,37);6,8-11,16-17,19,25,32,35H,1,4-5,7,12-15,18H2,2-3H3,(H,33,36,37);5-11,16-18,21H,1,3-4,12-15,19H2,2H3,(H,33,34,35);9-12,14-15,18-20,24,31,34H,3-8,13,16-17H2,1-2H3,(H,32,35,36)
• InChIKey: SKDITZBQFODXSF-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 422.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.79
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160858206) is 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2nccn2-c2nccs2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2cncn2C2CCOCC2)c1=O)C(C)C.C=C(c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ncoc2C2=CCCC2)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(Cc2ocnc2C2CC2)c1=O.

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

The InChIKey is SKDITZBQFODXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N8O2.C31H36N8O2.C30H31N9OS.C30H37N7O2/c1-21(2)23(4)28-16-24-17-35-32(36-25-5-6-29(22(3)15-25)38-11-9-33-10-12-38)37-30(24)39(31(28)41)19-27-18-34-20-40(27)26-7-13-42-14-8-26;1-20(38(2)3)26-16-22-17-33-31(36-24-10-8-23(9-11-24)35-25-12-14-32-15-13-25)37-29(22)39(30(26)40)18-27-28(41-19-34-27)21-6-4-5-7-21;1-20(21-3-4-21)25-17-22-18-33-29(34-23-5-7-24(8-6-23)37-14-12-36(2)13-15-37)35-27(22)39(28(25)40)19-26-31-9-11-38(26)30-32-10-16-41-30;1-3-19(4-2)25-14-21-15-32-30(35-23-11-9-22(10-12-23)34-24-6-5-13-31-16-24)36-28(21)37(29(25)38)17-26-27(20-7-8-20)33-18-39-26/h5-6,15-18,20-21,26,33H,4,7-14,19H2,1-3H3,(H,35,36,37);6,8-11,16-17,19,25,32,35H,1,4-5,7,12-15,18H2,2-3H3,(H,33,36,37);5-11,16-18,21H,1,3-4,12-15,19H2,2H3,(H,33,34,35);9-12,14-15,18-20,24,31,34H,3-8,13,16-17H2,1-2H3,(H,32,35,36).

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

8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2214.79 g/mol, XLogP of 19.27, 35 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160858206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).