[4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate

C115H122Cl2N6O19 — CID 159272191

About [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate

[4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate (PubChem CID 159272191) has the molecular formula C115H122Cl2N6O19 and a molecular weight of 1963.17 g/mol. Its IUPAC name is [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate.

Molecular Properties

• Compound Name: [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate
• PubChem CID: 159272191
• Molecular Formula: C115H122Cl2N6O19
• Molecular Weight: 1963.17 g/mol
• Exact Mass: 1960.81
• IUPAC Name: [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate
• SMILES: COc1ccc(C(=O)OC2=C(c3c(C)cc(C)cc3C)C(=O)CC2CC2CCOC2)cc1.Cc1cc(C)c(C2=C(OC(=O)c3c(C)noc3C)CC(CC3CCN(C(=O)c4c(C)noc4C)C3)C2=O)c(C)c1.Cc1cc(C)c(C2=C(OC(=O)c3ccc(Cl)nc3)CC(CC3CCN(C(=O)c4ccc(Cl)nc4)C3)C2=O)c(C)c1.Cc1cc(C)c(C2=C(OC(=O)c3ccccc3)C(CC3CCOC3)CC2=O)c(C)c1
• InChI: InChI=1S/C31H29Cl2N3O4.C31H35N3O6.C27H30O5.C26H28O4/c1-17-10-18(2)27(19(3)11-17)28-24(40-31(39)22-5-7-26(33)35-15-22)13-23(29(28)37)12-20-8-9-36(16-20)30(38)21-4-6-25(32)34-14-21;1-15-10-16(2)25(17(3)11-15)28-24(38-31(37)27-19(5)33-40-21(27)7)13-23(29(28)35)12-22-8-9-34(14-22)30(36)26-18(4)32-39-20(26)6;1-16-11-17(2)24(18(3)12-16)25-23(28)14-21(13-19-9-10-31-15-19)26(25)32-27(29)20-5-7-22(30-4)8-6-20;1-16-11-17(2)23(18(3)12-16)24-22(27)14-21(13-19-9-10-29-15-19)25(24)30-26(28)20-7-5-4-6-8-20/h4-7,10-11,14-15,20,23H,8-9,12-13,16H2,1-3H3;10-11,22-23H,8-9,12-14H2,1-7H3;5-8,11-12,19,21H,9-10,13-15H2,1-4H3;4-8,11-12,19,21H,9-10,13-15H2,1-3H3
• InChIKey: KXVVFXKXPWZVKK-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 319.63 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.17
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate?

The IUPAC name of [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate (CID 159272191) is [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate.

What is the SMILES notation for [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate?

The canonical SMILES for [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate is COc1ccc(C(=O)OC2=C(c3c(C)cc(C)cc3C)C(=O)CC2CC2CCOC2)cc1.Cc1cc(C)c(C2=C(OC(=O)c3c(C)noc3C)CC(CC3CCN(C(=O)c4c(C)noc4C)C3)C2=O)c(C)c1.Cc1cc(C)c(C2=C(OC(=O)c3ccc(Cl)nc3)CC(CC3CCN(C(=O)c4ccc(Cl)nc4)C3)C2=O)c(C)c1.Cc1cc(C)c(C2=C(OC(=O)c3ccccc3)C(CC3CCOC3)CC2=O)c(C)c1.

What is the InChIKey of [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate?

The InChIKey is KXVVFXKXPWZVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29Cl2N3O4.C31H35N3O6.C27H30O5.C26H28O4/c1-17-10-18(2)27(19(3)11-17)28-24(40-31(39)22-5-7-26(33)35-15-22)13-23(29(28)37)12-20-8-9-36(16-20)30(38)21-4-6-25(32)34-14-21;1-15-10-16(2)25(17(3)11-15)28-24(38-31(37)27-19(5)33-40-21(27)7)13-23(29(28)35)12-22-8-9-34(14-22)30(36)26-18(4)32-39-20(26)6;1-16-11-17(2)24(18(3)12-16)25-23(28)14-21(13-19-9-10-31-15-19)26(25)32-27(29)20-5-7-22(30-4)8-6-20;1-16-11-17(2)23(18(3)12-16)24-22(27)14-21(13-19-9-10-29-15-19)25(24)30-26(28)20-7-5-4-6-8-20/h4-7,10-11,14-15,20,23H,8-9,12-13,16H2,1-3H3;10-11,22-23H,8-9,12-14H2,1-7H3;5-8,11-12,19,21H,9-10,13-15H2,1-4H3;4-8,11-12,19,21H,9-10,13-15H2,1-3H3.

What are the key properties of [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate?

[4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate has a molecular weight of 1963.17 g/mol, XLogP of 22.35, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 6-chloropyridine-3-carboxylate;[4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] benzoate;[3-oxo-5-(oxolan-3-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 4-methoxybenzoate is sourced from PubChem (CID 159272191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).