6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C123H130F3N25O11 — CID 161476673

About 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161476673) has the molecular formula C123H130F3N25O11 and a molecular weight of 2191.55 g/mol. Its IUPAC name is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161476673
• Molecular Formula: C123H130F3N25O11
• Molecular Weight: 2191.55 g/mol
• Exact Mass: 2190.03
• IUPAC Name: 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)C#Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2nccn2C(F)(F)F)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnoc2C2CCCC2)c1=O.CN(C)CCn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(Cc5ncoc5-c5ccccc5)c4n3)cc2)C1
• InChI: InChI=1S/C35H34N6O3.C31H34N6O4.C29H34N6O2.C28H28F3N7O2/c1-40-18-17-30(21-40)44-29-15-13-28(14-16-29)38-35-36-20-27-19-26(12-11-24-7-5-6-8-24)34(42)41(33(27)39-35)22-31-32(43-23-37-31)25-9-3-2-4-10-25;1-2-39-15-13-22-16-23-17-33-31(35-25-9-11-26(12-10-25)40-27-8-5-14-32-19-27)36-29(23)37(30(22)38)20-24-18-34-41-28(24)21-6-3-4-7-21;1-34(2)17-18-35-27-23(19-22(28(35)36)8-7-21-5-3-4-6-21)20-31-29(33-27)32-24-9-11-25(12-10-24)37-26-13-15-30-16-14-26;1-18(2)4-5-20-14-21-15-33-27(34-22-8-6-19(7-9-22)23-16-36(3)12-13-40-23)35-25(21)37(26(20)39)17-24-32-10-11-38(24)28(29,30)31/h2-4,9-10,13-16,19-20,23-24,30H,5-8,17-18,21-22H2,1H3,(H,36,38,39);9-12,16-18,21,27,32H,2-8,14,19-20H2,1H3,(H,33,35,36);5,9-12,19-20,26,30H,3-4,6,13-18H2,1-2H3,(H,31,32,33);6-11,14-15,18,23H,12-13,16-17H2,1-3H3,(H,33,34,35)
• InChIKey: WDUPGWDFWGNFLU-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 389.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2191.55
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 161476673) is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CC(C)C#Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2nccn2C(F)(F)F)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnoc2C2CCCC2)c1=O.CN(C)CCn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(Cc5ncoc5-c5ccccc5)c4n3)cc2)C1.

What is the InChIKey of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is WDUPGWDFWGNFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O3.C31H34N6O4.C29H34N6O2.C28H28F3N7O2/c1-40-18-17-30(21-40)44-29-15-13-28(14-16-29)38-35-36-20-27-19-26(12-11-24-7-5-6-8-24)34(42)41(33(27)39-35)22-31-32(43-23-37-31)25-9-3-2-4-10-25;1-2-39-15-13-22-16-23-17-33-31(35-25-9-11-26(12-10-25)40-27-8-5-14-32-19-27)36-29(23)37(30(22)38)20-24-18-34-41-28(24)21-6-3-4-7-21;1-34(2)17-18-35-27-23(19-22(28(35)36)8-7-21-5-3-4-6-21)20-31-29(33-27)32-24-9-11-25(12-10-24)37-26-13-15-30-16-14-26;1-18(2)4-5-20-14-21-15-33-27(34-22-8-6-19(7-9-22)23-16-36(3)12-13-40-23)35-25(21)37(26(20)39)17-24-32-10-11-38(24)28(29,30)31/h2-4,9-10,13-16,19-20,23-24,30H,5-8,17-18,21-22H2,1H3,(H,36,38,39);9-12,16-18,21,27,32H,2-8,14,19-20H2,1H3,(H,33,35,36);5,9-12,19-20,26,30H,3-4,6,13-18H2,1-2H3,(H,31,32,33);6-11,14-15,18,23H,12-13,16-17H2,1-3H3,(H,33,34,35).

What are the key properties of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2191.55 g/mol, XLogP of 18.52, 27 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[1-(trifluoromethyl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161476673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).