2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate

C25H23Cl2N5O2 — CID 11283340

About 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate

2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate (PubChem CID 11283340) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate.

Molecular Properties

• Compound Name: 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate
• PubChem CID: 11283340
• Molecular Formula: C25H23Cl2N5O2
• Molecular Weight: 496.40 g/mol
• Exact Mass: 495.12
• IUPAC Name: 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate
• SMILES: O=C(OCCNc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12)C1CCCC1
• InChI: InChI=1S/C25H23Cl2N5O2/c26-18-11-9-16(10-12-18)23-21-22(31-32(23)20-8-4-3-7-19(20)27)24(30-15-29-21)28-13-14-34-25(33)17-5-1-2-6-17/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,28,29,30)
• InChIKey: XOLLSEHXEYNEGZ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.40
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate?

The IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate (CID 11283340) is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate.

What is the SMILES notation for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate?

The canonical SMILES for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate is O=C(OCCNc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12)C1CCCC1.

What is the InChIKey of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate?

The InChIKey is XOLLSEHXEYNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c26-18-11-9-16(10-12-18)23-21-22(31-32(23)20-8-4-3-7-19(20)27)24(30-15-29-21)28-13-14-34-25(33)17-5-1-2-6-17/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,28,29,30).

What are the key properties of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate?

2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate has a molecular weight of 496.40 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate is sourced from PubChem (CID 11283340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).